4-(4-benzylpiperidine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one

C22H30N2O2 — CID 3243190

IUPAC4-(4-benzylpiperidine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one
SMILESO=C(C1CC(=O)N(C2CCCC2)C1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H30N2O2/c25-21-15-19(16-24(21)20-8-4-5-9-20)22(26)23-12-10-18(11-13-23)14-17-6-2-1-3-7-17/h1-3,6-7,18-20H,4-5,8-16H2
InChIKeyWGALQFCQUXNMQY-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.26
Rot. Bonds4

About 4-(4-benzylpiperidine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one

4-(4-benzylpiperidine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one (PubChem CID 3243190) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 4-(4-benzylpiperidine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-benzylpiperidine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one
PubChem CID3243190
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name4-(4-benzylpiperidine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one
SMILESO=C(C1CC(=O)N(C2CCCC2)C1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H30N2O2/c25-21-15-19(16-24(21)20-8-4-5-9-20)22(26)23-12-10-18(11-13-23)14-17-6-2-1-3-7-17/h1-3,6-7,18-20H,4-5,8-16H2
InChIKeyWGALQFCQUXNMQY-UHFFFAOYSA-N
XLogP3.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

AI3-37156
CID 897567
3-Benzyl-1-cyclohexylpyrrolidin-2-one
CID 11673314
1-cyclopentyl-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 5090685
N-cyclohexyl-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 6497407
cis-1-Methyl-5-(phenylethynyl)-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
CID 42631007
3-(4-Methylpiperazin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 3842538
cyclopentyl-[(3S,4S)-3-phenyl-4-[(4-phenyl-1-piperidyl)methyl]pyrrolidin-1-yl]methanone
CID 489825
2-ethyl-1-[(3S,4S)-3-phenyl-4-[(4-phenyl-1-piperidyl)methyl]pyrrolidin-1-yl]butan-1-one
CID 489827
[1-((3S,4S)-1-Cyclohexanecarbonyl-4-phenyl-pyrrolidin-3-ylmethyl)-piperidin-4-yl]-cyclopentylmethyl-carbamic acid methyl ester
CID 490010
[1-((3S,4S)-1-Cyclopentanecarbonyl-4-phenyl-pyrrolidin-3-ylmethyl)-piperidin-4-yl]-cyclopentylmethyl-carbamic acid methyl ester
CID 490011
(1-Benzylpiperidin-4-yl)-pyrrolidin-1-ylmethanone
CID 883949
1-[2,5-Dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]piperidine-4-carboxamide
CID 2877316

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one?
The IUPAC name of 4-(4-benzylpiperidine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one (CID 3243190) is 4-(4-benzylpiperidine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one.
What is the SMILES notation for 4-(4-benzylpiperidine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one?
The canonical SMILES for 4-(4-benzylpiperidine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one is O=C(C1CC(=O)N(C2CCCC2)C1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-(4-benzylpiperidine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one?
The InChIKey is WGALQFCQUXNMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c25-21-15-19(16-24(21)20-8-4-5-9-20)22(26)23-12-10-18(11-13-23)14-17-6-2-1-3-7-17/h1-3,6-7,18-20H,4-5,8-16H2.
What are the key properties of 4-(4-benzylpiperidine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one?
4-(4-benzylpiperidine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one has a molecular weight of 354.49 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperidine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one is sourced from PubChem (CID 3243190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).