Molecular Identity
Gepirone
4,4-dimethyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione
PubChem CID: 55191
Gepirone is a member of the class of piperidones that is piperidine-2,6-dione substituted by a 4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl group at position 1 and two methyl groups at position 4. It has a role as an antidepressant, an anxiolytic drug and a serotonergic agonist. It is a member of pyrimidines, a N-alkylpiperazine and a member of piperidones. It is a conjugate base of a gepirone(1+).
2D Structure
Properties
C19H29N5O2
Molecular Formula
359.50
Molecular Weight
g/mol
359.2321
Exact Mass
Da
1.8
XLogP
Drug-like (Lipinski: < 5)
69.6
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
6
H-Bond Acceptors
476
Complexity
SMILES
Canonical SMILES
SMILES: CC1(CC(=O)N(C(=O)C1)CCCCN2CCN(CC2)C3=NC=CC=N3)CIsomeric SMILES
SMILES: CC1(CC(=O)N(C(=O)C1)CCCCN2CCN(CC2)C3=NC=CC=N3)CSynonyms(20)
Gepirone83928-76-1GepironaGepironumBMY-138054,4-dimethyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dioneMJ-13805ArizaOrg-33062 free baseJW5Y7B8Z182,6-Piperidinedione, 4,4-dimethyl-1-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-BMY 13805DTXSID90232813MJ 138054,4-dimethyl-1-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-2,6-piperidinedione
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Gepirone
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