1-cyclopentyl-4-[3-(piperidin-4-ylmethyl)benzoyl]piperazin-2-one

C22H31N3O2 — CID 56893991

IUPAC1-cyclopentyl-4-[3-(piperidin-4-ylmethyl)benzoyl]piperazin-2-one
SMILESO=C(c1cccc(CC2CCNCC2)c1)N1CCN(C2CCCC2)C(=O)C1
InChIInChI=1S/C22H31N3O2/c26-21-16-24(12-13-25(21)20-6-1-2-7-20)22(27)19-5-3-4-18(15-19)14-17-8-10-23-11-9-17/h3-5,15,17,20,23H,1-2,6-14,16H2
InChIKeyVYBJMPYRLHEHDZ-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.46
Rot. Bonds4

About 1-cyclopentyl-4-[3-(piperidin-4-ylmethyl)benzoyl]piperazin-2-one

1-cyclopentyl-4-[3-(piperidin-4-ylmethyl)benzoyl]piperazin-2-one (PubChem CID 56893991) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 1-cyclopentyl-4-[3-(piperidin-4-ylmethyl)benzoyl]piperazin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4-[3-(piperidin-4-ylmethyl)benzoyl]piperazin-2-one
PubChem CID56893991
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name1-cyclopentyl-4-[3-(piperidin-4-ylmethyl)benzoyl]piperazin-2-one
SMILESO=C(c1cccc(CC2CCNCC2)c1)N1CCN(C2CCCC2)C(=O)C1
InChIInChI=1S/C22H31N3O2/c26-21-16-24(12-13-25(21)20-6-1-2-7-20)22(27)19-5-3-4-18(15-19)14-17-8-10-23-11-9-17/h3-5,15,17,20,23H,1-2,6-14,16H2
InChIKeyVYBJMPYRLHEHDZ-UHFFFAOYSA-N
XLogP2.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopentyl-4-[3-(piperidin-4-ylmethyl)benzoyl]piperazin-2-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

1-cyclopentyl-4-[4-[[(3R)-piperidin-3-yl]methyl]benzoyl]piperazin-2-one
CID 95722482
1-cyclopentyl-4-[2-(pyrrolidin-3-ylmethyl)benzoyl]piperazin-2-one
CID 166612327
[3-(pyrrolidin-3-ylmethyl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 171708776
4-[2-(3-chlorophenyl)acetyl]-1-cyclopropylpiperazin-2-one
CID 110720798
1-oxa-4,9-diazaspiro[5.5]undecan-4-yl-[3-(pyrrolidin-3-ylmethyl)phenyl]methanone;dihydrochloride
CID 171325750
1-cyclopropyl-4-(2-phenylacetyl)piperazin-2-one
CID 110720747
(4-cyclopentylpiperazin-1-yl)-[3-(methylsulfinylmethyl)phenyl]methanone
CID 134020797
[3-(piperazin-1-ylmethyl)phenyl]-piperidin-1-ylmethanone
CID 10755739
4-[3-[[5-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzoyl]-1-piperidin-4-ylpiperazin-2-one
CID 25195614
(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[3-(pyrrolidin-3-ylmethyl)phenyl]methanone;hydrochloride
CID 171710977
1-cyclohexyl-4-[1-(4-fluorophenyl)pyrazole-4-carbonyl]piperazin-2-one
CID 46964597
1-[3-(piperidin-4-ylmethyl)phenyl]piperazin-2-one
CID 117436479

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[3-(piperidin-4-ylmethyl)benzoyl]piperazin-2-one?
The IUPAC name of 1-cyclopentyl-4-[3-(piperidin-4-ylmethyl)benzoyl]piperazin-2-one (CID 56893991) is 1-cyclopentyl-4-[3-(piperidin-4-ylmethyl)benzoyl]piperazin-2-one.
What is the SMILES notation for 1-cyclopentyl-4-[3-(piperidin-4-ylmethyl)benzoyl]piperazin-2-one?
The canonical SMILES for 1-cyclopentyl-4-[3-(piperidin-4-ylmethyl)benzoyl]piperazin-2-one is O=C(c1cccc(CC2CCNCC2)c1)N1CCN(C2CCCC2)C(=O)C1.
What is the InChIKey of 1-cyclopentyl-4-[3-(piperidin-4-ylmethyl)benzoyl]piperazin-2-one?
The InChIKey is VYBJMPYRLHEHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c26-21-16-24(12-13-25(21)20-6-1-2-7-20)22(27)19-5-3-4-18(15-19)14-17-8-10-23-11-9-17/h3-5,15,17,20,23H,1-2,6-14,16H2.
What are the key properties of 1-cyclopentyl-4-[3-(piperidin-4-ylmethyl)benzoyl]piperazin-2-one?
1-cyclopentyl-4-[3-(piperidin-4-ylmethyl)benzoyl]piperazin-2-one has a molecular weight of 369.51 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[3-(piperidin-4-ylmethyl)benzoyl]piperazin-2-one is sourced from PubChem (CID 56893991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).