General Information of the Compound
Compound ID
CP0234687
Compound Name
4,4-Dimethyl-1-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-butyl]-piperidine-2,6-dione
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Synonyms
2,6-Piperidinedione, 4,4-dimethyl-1-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-
3,3-dimethyl-1-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]glutarimide
4,4-Dimethyl-1-(4-(4-(pyrimidin-2-yl)piperazin-1-yl)butyl)piperidine-2,6-dione
4,4-dimethyl-1-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-2,6-piperidinedione
4,4-dimethyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione
83928-76-1
AC1L1IK6
AC1Q6F8Q
AK115965
BMY 13805
BMY-13805
CHEMBL284092
Gepirona
Gepirona [Spanish]
Gepirone
Gepirone [INN]
Gepironum
Gepironum [Latin]
JW5Y7B8Z18
MJ 13805-1
ORG-13011(Gepirone)
Travivo
UNII-JW5Y7B8Z18
gepiron ER
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Structure
Formula
C19H29N5O2
Molecular Weight
359.474
Canonical SMILES
CC1(C)CC(=O)N(CCCCN2CCN(CC2)c2ncccn2)C(=O)C1
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InChI
InChI=1S/C19H29N5O2/c1-19(2)14-16(25)24(17(26)15-19)9-4-3-8-22-10-12-23(13-11-22)18-20-6-5-7-21-18/h5-7H,3-4,8-15H2,1-2H3
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InChIKey
QOIGKGMMAGJZNZ-UHFFFAOYSA-N
CAS
83928-76-1
Physicochemical Property
logP
1.554
Rotatable Bonds
6
Heavy Atom Count
26
Polar Areas
69.64
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
26

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 55191
SID: 14925895
ChEMBL ID
CHEMBL284092
DrugBank ID
DB12184
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00819, 5-hydroxytryptamine receptor 1A
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 13 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 114 nM
2 Kd = 79.43 nM
3 Ki = 31.8 nM
Clinical Information about the Compound
Drug 1 ( Gepirone )
Drug Name Gepirone
Company Fabre-Kramer; GSK
Indication
Major depressive disorder
Approved
Depression
Terminated
Target(s)
5-HT 1A receptor (HTR1A)
 Target Info 
Agonist