1-benzyl-N-(1-cyclopentylpyrrolidin-3-yl)-6-oxo-2-phenylpiperidine-3-carboxamide

C28H35N3O2 — CID 86896722

IUPAC1-benzyl-N-(1-cyclopentylpyrrolidin-3-yl)-6-oxo-2-phenylpiperidine-3-carboxamide
SMILESO=C(NC1CCN(C2CCCC2)C1)C1CCC(=O)N(Cc2ccccc2)C1c1ccccc1
InChIInChI=1S/C28H35N3O2/c32-26-16-15-25(28(33)29-23-17-18-30(20-23)24-13-7-8-14-24)27(22-11-5-2-6-12-22)31(26)19-21-9-3-1-4-10-21/h1-6,9-12,23-25,27H,7-8,13-20H2,(H,29,33)
InChIKeyIRSCICNRSRNRNH-UHFFFAOYSA-N
MW445.61 g/mol
LogP4.30
Rot. Bonds6

About 1-benzyl-N-(1-cyclopentylpyrrolidin-3-yl)-6-oxo-2-phenylpiperidine-3-carboxamide

1-benzyl-N-(1-cyclopentylpyrrolidin-3-yl)-6-oxo-2-phenylpiperidine-3-carboxamide (PubChem CID 86896722) has the molecular formula C28H35N3O2 and a molecular weight of 445.61 g/mol. Its IUPAC name is 1-benzyl-N-(1-cyclopentylpyrrolidin-3-yl)-6-oxo-2-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(1-cyclopentylpyrrolidin-3-yl)-6-oxo-2-phenylpiperidine-3-carboxamide
PubChem CID86896722
Molecular FormulaC28H35N3O2
Molecular Weight445.61 g/mol
Exact Mass445.27
IUPAC Name1-benzyl-N-(1-cyclopentylpyrrolidin-3-yl)-6-oxo-2-phenylpiperidine-3-carboxamide
SMILESO=C(NC1CCN(C2CCCC2)C1)C1CCC(=O)N(Cc2ccccc2)C1c1ccccc1
InChIInChI=1S/C28H35N3O2/c32-26-16-15-25(28(33)29-23-17-18-30(20-23)24-13-7-8-14-24)27(22-11-5-2-6-12-22)31(26)19-21-9-3-1-4-10-21/h1-6,9-12,23-25,27H,7-8,13-20H2,(H,29,33)
InChIKeyIRSCICNRSRNRNH-UHFFFAOYSA-N
XLogP4.30
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.61
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-benzyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]butanoic acid
CID 119170729
1-benzyl-6-oxo-2-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide
CID 119509741
1-benzyl-N-[3-(methylamino)propyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 119429433
(2S,3R)-1-benzyl-N-[2-(4-fluorophenyl)ethyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 95761596
(5R,6R)-1-benzyl-5-(morpholine-4-carbonyl)-6-phenylpiperidin-2-one
CID 94582684
(2R,3R)-1-benzyl-6-oxo-2-phenyl-N,N-di(propan-2-yl)piperidine-3-carboxamide
CID 101404403
1-benzyl-6-phenyl-5-(piperazine-1-carbonyl)piperidin-2-one;hydrochloride
CID 119400053
1-benzyl-N-[(2,5-dimethylfuran-3-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 86950512
1-benzyl-N-[4-(tert-butylcarbamoyl)phenyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 47060248
(2R,3R)-1-benzyl-N-[2-(1H-indol-3-yl)ethyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 101404404
(2S,3S)-1-benzyl-6-oxo-2-(4-propan-2-ylphenyl)piperidine-3-carboxylic acid
CID 40800623
1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 4025878

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(1-cyclopentylpyrrolidin-3-yl)-6-oxo-2-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(1-cyclopentylpyrrolidin-3-yl)-6-oxo-2-phenylpiperidine-3-carboxamide (CID 86896722) is 1-benzyl-N-(1-cyclopentylpyrrolidin-3-yl)-6-oxo-2-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(1-cyclopentylpyrrolidin-3-yl)-6-oxo-2-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(1-cyclopentylpyrrolidin-3-yl)-6-oxo-2-phenylpiperidine-3-carboxamide is O=C(NC1CCN(C2CCCC2)C1)C1CCC(=O)N(Cc2ccccc2)C1c1ccccc1.
What is the InChIKey of 1-benzyl-N-(1-cyclopentylpyrrolidin-3-yl)-6-oxo-2-phenylpiperidine-3-carboxamide?
The InChIKey is IRSCICNRSRNRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O2/c32-26-16-15-25(28(33)29-23-17-18-30(20-23)24-13-7-8-14-24)27(22-11-5-2-6-12-22)31(26)19-21-9-3-1-4-10-21/h1-6,9-12,23-25,27H,7-8,13-20H2,(H,29,33).
What are the key properties of 1-benzyl-N-(1-cyclopentylpyrrolidin-3-yl)-6-oxo-2-phenylpiperidine-3-carboxamide?
1-benzyl-N-(1-cyclopentylpyrrolidin-3-yl)-6-oxo-2-phenylpiperidine-3-carboxamide has a molecular weight of 445.61 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(1-cyclopentylpyrrolidin-3-yl)-6-oxo-2-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 86896722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).