Molecular Identity
Spiperone
8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID: 5265
Spiperone is an azaspiro compound that is 1,3,8-triazaspiro[4.5]decane which is substituted at positions 1, 4, and 8 by phenyl, oxo, and 4-(p-fluorophenyl)-4-oxobutyl groups, respectively. It has a role as a psychotropic drug, an antipsychotic agent, an alpha-adrenergic antagonist, a serotonergic antagonist and a dopaminergic antagonist. It is a member of piperidines, an azaspiro compound, an organofluorine compound, a tertiary amino compound and an aromatic ketone.
2D Structure
Properties
C23H26FN3O2
Molecular Formula
395.50
Molecular Weight
g/mol
395.2009
Exact Mass
Da
3
XLogP
Drug-like (Lipinski: < 5)
52.7
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
577
Complexity
SMILES
Canonical SMILES
SMILES: C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(=O)C4=CC=C(C=C4)FIsomeric SMILES
SMILES: C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(=O)C4=CC=C(C=C4)FSynonyms(20)
spiperone749-02-0SpiropitanSpiroperidolEspiperonaSpiperonum8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-oneR 5147DTXSID50452058-(3-(p-Fluorobenzoyl)propyl)-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-one8-(3-p-Fluorobenzoyl-1-propyl)-4-oxo-1-phenyl-1,3,8-triazaspiro(4,5)decaneR-5147NSC-1709834X6E73CJ0Q1,3,8-Triazaspiro(4.5)decan-4-one, 8-(4-(4-fluorophenyl)-4-oxobutyl)-1-phenyl-
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Spiperone
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