3-cyclopentyl-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one

C21H32N4O — CID 45176996

IUPAC3-cyclopentyl-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCC(C2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C21H32N4O/c26-20(7-6-17-4-1-2-5-17)25-15-10-19(16-25)18-8-13-24(14-9-18)21-22-11-3-12-23-21/h3,11-12,17-19H,1-2,4-10,13-16H2
InChIKeyQTKGGHGEZXEASV-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.51
Rot. Bonds5

About 3-cyclopentyl-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one

3-cyclopentyl-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 45176996) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is 3-cyclopentyl-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one
PubChem CID45176996
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC Name3-cyclopentyl-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCC(C2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C21H32N4O/c26-20(7-6-17-4-1-2-5-17)25-15-10-19(16-25)18-8-13-24(14-9-18)21-22-11-3-12-23-21/h3,11-12,17-19H,1-2,4-10,13-16H2
InChIKeyQTKGGHGEZXEASV-UHFFFAOYSA-N
XLogP3.51
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-cyclopentyl-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Buspirone
CID 2477
Buspirone Hydrochloride
CID 36431
Tandospirone
CID 91273
Tandospirone hydrochloride
CID 13422623
(1S,7R)-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 60559
8-[3-[4-(2-Pyrimidinyl)-1-piperazinyl]propyl]-8-azaspiro[4.5]decane-7,9-dione
CID 4713258
2-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)-butyl]-hexahydro-isoindole-1,3-dione;C4H4O4
CID 15592394
8-[2-(4-Pyrimidin-2-ylpiperazin-1-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione
CID 21517011
2-[4-(4-Pyrimidin-2-ylpiperazin-1-yl)butyl]-2-azaspiro[4.5]decane-1,3-dione
CID 12840712
2-[4-(4-Pyrimidin-2-ylpiperazin-1-yl)butyl]-2-azaspiro[4.6]undecane-1,3-dione
CID 12840714
8-[4-(4-Pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.6]undecane-7,9-dione
CID 12840716
4,7-Methano-1H-isoindole-1,3(2H)-dione, 3A,4,7,7
CID 14086439

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one (CID 45176996) is 3-cyclopentyl-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one is O=C(CCC1CCCC1)N1CCC(C2CCN(c3ncccn3)CC2)C1.
What is the InChIKey of 3-cyclopentyl-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is QTKGGHGEZXEASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O/c26-20(7-6-17-4-1-2-5-17)25-15-10-19(16-25)18-8-13-24(14-9-18)21-22-11-3-12-23-21/h3,11-12,17-19H,1-2,4-10,13-16H2.
What are the key properties of 3-cyclopentyl-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one?
3-cyclopentyl-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 356.51 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 45176996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).