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Spiperone

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Identification
Molecular formula
C23H31N5O2
CAS number
74-54-4
IUPAC name
8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione
State
State

At room temperature, spiperone is typically in a solid state.

Melting point (Celsius)
155.50
Melting point (Kelvin)
428.65
Boiling point (Celsius)
488.80
Boiling point (Kelvin)
761.95
General information
Molecular weight
395.53g/mol
Molar mass
395.5040g/mol
Density
1.4330g/cm3
Appearence

Spiperone typically appears as a white or off-white crystalline powder.

Comment on solubility

Solubility Characteristics

The compound 8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione, with the chemical formula C23H31N5O2, exhibits some intriguing solubility attributes that are noteworthy for various applications.

Factors Influencing Solubility:

Several factors contribute to the solubility of this compound:

  • Polarity: The presence of nitrogen and oxygen atoms in the structure tends to increase the polarity, enhancing solubility in polar solvents.
  • Hydrogen Bonding: The amine and carbonyl functional groups can engage in hydrogen bonding, promoting solubility in aqueous environments.
  • Alkyl Chain Length: The butyl group can contribute to hydrophobic interactions, potentially affecting solubility in non-polar solvents.
  • Structural Rigidity: The spirocyclic structure may hinder rotation, which could influence solubility in various solvents.

General Solubility Trends:

While specific solubility data is essential, it is often observed that:

  • Compounds with larger molecular weights tend to have lower aqueous solubility.
  • Amphiphilic compounds (having both hydrophilic and hydrophobic parts) can dissolve in both aqueous and organic solvents.
  • Polar functional groups typically enhance solubility in polar solvents, such as water and alcohols.

In conclusion, the solubility of 8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione is affected by a combination of its functional groups, molecular structure, and the nature of the solvent. Further testing and empirical data would provide a clearer picture of its solubility profile across various solvents.

Interesting facts

Interesting Facts about 8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione

This intriguing compound, known as 8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione, emerges from the crossroads of medicinal chemistry and pharmacology.

Key Characteristics

  • Structure: The unique spirocyclic structure contributes to its potential biological activity, impacting how it interacts with biological targets.
  • Pharmacological Potential: Compounds with similar structures have been investigated for their effects on the central nervous system, particularly as antidepressants or anxiolytics.
  • Targeting Strategy: The presence of a pyrimidine ring in the side chain suggests that it may exhibit favorable interactions with various receptors or enzymes, possibly modulating specific neurochemical pathways.

Applications in Research

Researchers are keenly interested in this compound for several reasons:

  • Drug Design: Its complex structure can serve as a lead compound, guiding the synthesis of analogs with improved efficacy or reduced side effects.
  • Biological Studies: Investigating its interaction with receptors may reveal mechanisms underlying mood disorders or cognitive functions.
  • Toxicological Studies: Understanding the safety profile of compounds like this is crucial for their development into therapeutic agents.

Conclusion

In conclusion, 8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione represents a fascinating area of study in the realm of medicinal chemistry. Its structure, potential applications, and avenues for future research continue to spark interest among scientists and students alike. As one researcher once said, "The beauty of chemistry lies in the endless possibilities and the potential to create compounds that can change lives."

Synonyms
buspirone
36505-84-7
Buspirona
Ansial
Buspironum
Buspironum [INN-Latin]
Buspirona [INN-Spanish]
Gen-Buspirone
Buspirone free base
buspin
8-(4-(4-(2-Pyrimidinyl)-1-piperizinyl)butyl)-8-azaspiro(4,5)decane-7,9-dione
8-(4-(4-(Pyrimidin-2-yl)piperazin-1-yl)butyl)-8-azaspiro[4.5]decane-7,9-dione
UNII-TK65WKS8HL
8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione
TK65WKS8HL
EINECS 253-072-2
Buspirone (INN)
BRN 0964904
CHEBI:3223
DTXSID2022707
BCI-024
CHEMBL49
8-{4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}-8-azaspiro[4.5]decane-7,9-dione
8-Azaspiro(4.5)decane-7,9-dione, 8-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-
8-Azaspiro[4.5]decane-7,9-dione, 8-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-
DTXCID402707
8-Azaspiro(4,5)decane-7,9-dione, 8-(4-(4-(2-pyrimidinyl)piperizinyl)butyl)-
8-Azaspiro[4.5]decane-7,9-dione,8-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-
8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)-butyl]-8-aza-spiro[4.5]decane-7,9-dione
NCGC00015162-04
BUSPIRONE [INN]
Buspironum (INN-Latin)
Buspirona (INN-Spanish)
Buspirone [INN:BAN]
116753-41-4
Buspirone-MDTS
CAS-36505-84-7
Gen-Buspirone (TN)
8-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-8-azaspiro[4.5]decane-7,9-dione
Buspiron
8-(4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl)-8-azaspiro(4.5)decane-7,9-dione
Buspirone; 8-Azaspiro[4.5]decane-7,9-dione, 8-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]- (9CI)
N-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-1-cyclopentanediacetamide
Buspirone (Standard)
Spectrum_001756
Tocris-0962
BUSPIRONE [MI]
Prestwick0_000369
Prestwick1_000369
Prestwick2_000369
Prestwick3_000369
BUSPIRONE [VANDF]
Lopac-B-7148
Biomol-NT_000108
GTPL36
BUSPIRONE [WHO-DD]
Lopac0_000223
SCHEMBL16398
BSPBio_000497
KBioSS_002236
BIDD:GT0519
DivK1c_000921
SPBio_002418
BPBio1_000547
BPBio1_001403
HY-B1115AR
EX-A8006F
HY-B1115A
KBio1_000921
KBio2_002236
KBio2_004804
KBio2_007372
N05BE01
NINDS_000921
GLXC-03404
HMS2090K19
Tox21_110092
Tox21_302371
BDBM50001859
STK086268
AKOS002313325
Tox21_110092_1
CCG-204318
DB00490
SDCCGSBI-0050211.P004
8-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-8-azaspiro[4,5]decane-7,9-dione
8-[4-[4-(pyrimidine-2-yl)-piperazine-1-yl]-butyl]-8-aza-spiro[4.5]decane-7,9-dione
IDI1_000921
MRF-0000691
Buspirone 100 microg/mL in Acetonitrile
NCGC00015162-01
NCGC00015162-02
NCGC00015162-03
NCGC00015162-05
NCGC00015162-06
NCGC00015162-07
NCGC00015162-08
NCGC00015162-10
NCGC00015162-11
NCGC00015162-22
NCGC00016820-01
NCGC00024905-01
NCGC00024905-02
NCGC00024905-03
NCGC00255227-01
FB172600
Buspirone 1000 microg/mL in Acetonitrile
SBI-0050211.P003
CAS-33386-08-2
AB00053432
NS00005411
C06861
D07593
G78140
AB00053432-12
AB00053432_13
EN300-19748949
L001110
Q412194
BRD-K93461745-001-01-5
BRD-K93461745-003-03-7
BRD-K93461745-003-14-4
BRD-K93461745-003-23-5
BRD-K93461745-003-24-3
BRD-K93461745-003-25-0
8-(4-[4-(2-Pyrimidinyl)-1-piperazinyl]butyl)-8-azaspiro[4.5]decane-7,9-dione #
8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4,5]decane-7,9-dione
8-[4-[4-(2-pyrimidinyl)-1-piperazinyl]-butyl]-8-azaspiro[4.5]decane-7,9-dione
8-[4-[4-(pyrimidine-2yl)-piperazine-1-yl]-butyl]-8-aza-spiro[4.5]decane-7.9-dione
(buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)-butyl]-8-aza-spiro[4.5]decane-7,9-dione
253-072-2
8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)-butyl]-8-aza-spiro[4.5]decane-7,9-dione : (Hydrochloride)
8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)-butyl]-8-aza-spiro[4.5]decane-7,9-dione; Hydrochloride(Buspirone)
YLX