1-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-N-phenylpiperidine-4-carboxamide

C25H31N3O2 — CID 9134665

IUPAC1-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1
InChIInChI=1S/C25H31N3O2/c29-24(26-22-12-6-2-7-13-22)21-14-18-27(19-15-21)23(20-10-4-1-5-11-20)25(30)28-16-8-3-9-17-28/h1-2,4-7,10-13,21,23H,3,8-9,14-19H2,(H,26,29)/t23-/m0/s1
InChIKeyACKPGLHOEREHCH-QHCPKHFHSA-N
MW405.54 g/mol
LogP4.09
Rot. Bonds5

About 1-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-N-phenylpiperidine-4-carboxamide

1-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 9134665) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 1-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-N-phenylpiperidine-4-carboxamide
PubChem CID9134665
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name1-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1
InChIInChI=1S/C25H31N3O2/c29-24(26-22-12-6-2-7-13-22)21-14-18-27(19-15-21)23(20-10-4-1-5-11-20)25(30)28-16-8-3-9-17-28/h1-2,4-7,10-13,21,23H,3,8-9,14-19H2,(H,26,29)/t23-/m0/s1
InChIKeyACKPGLHOEREHCH-QHCPKHFHSA-N
XLogP4.09
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyphenyl)-1-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide
CID 41099612
1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-N-phenylpiperidine-4-carboxamide
CID 78817808
2-(4-hydroxypiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone
CID 43013126
2-phenyl-1-piperidin-1-yl-2-pyrrolidin-1-ylethanone
CID 47010733
4-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)-N-phenylpiperazine-1-carboxamide
CID 17438630
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 17477999
N-benzyl-1-(2-phenyl-2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide
CID 86888388
2-phenyl-2-piperidin-1-yl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 46978264
1-(2-anilino-2-oxo-1-phenylethyl)piperidine-4-carboxylic acid;hydrochloride
CID 119907322
1-[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-N-phenylpiperidine-4-carboxamide
CID 41227219
1-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-N-phenylpiperidine-4-carboxamide
CID 41183176
1-[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-N-phenylpiperidine-4-carboxamide
CID 41227222

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-N-phenylpiperidine-4-carboxamide (CID 9134665) is 1-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-N-phenylpiperidine-4-carboxamide is O=C(Nc1ccccc1)C1CCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1.
What is the InChIKey of 1-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is ACKPGLHOEREHCH-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H31N3O2/c29-24(26-22-12-6-2-7-13-22)21-14-18-27(19-15-21)23(20-10-4-1-5-11-20)25(30)28-16-8-3-9-17-28/h1-2,4-7,10-13,21,23H,3,8-9,14-19H2,(H,26,29)/t23-/m0/s1.
What are the key properties of 1-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-N-phenylpiperidine-4-carboxamide?
1-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 405.54 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 9134665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).