4-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]-N-phenylpiperidine-1-carboxamide

C24H31N3O2 — CID 93071884

IUPAC4-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]-N-phenylpiperidine-1-carboxamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)CC1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C24H31N3O2/c1-19(12-13-20-8-4-2-5-9-20)25-23(28)18-21-14-16-27(17-15-21)24(29)26-22-10-6-3-7-11-22/h2-11,19,21H,12-18H2,1H3,(H,25,28)(H,26,29)/t19-/m0/s1
InChIKeyPIBSRJHNMIHBKS-IBGZPJMESA-N
MW393.53 g/mol
LogP4.46
Rot. Bonds7

About 4-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]-N-phenylpiperidine-1-carboxamide

4-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]-N-phenylpiperidine-1-carboxamide (PubChem CID 93071884) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 4-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]-N-phenylpiperidine-1-carboxamide
PubChem CID93071884
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name4-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]-N-phenylpiperidine-1-carboxamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)CC1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C24H31N3O2/c1-19(12-13-20-8-4-2-5-9-20)25-23(28)18-21-14-16-27(17-15-21)24(29)26-22-10-6-3-7-11-22/h2-11,19,21H,12-18H2,1H3,(H,25,28)(H,26,29)/t19-/m0/s1
InChIKeyPIBSRJHNMIHBKS-IBGZPJMESA-N
XLogP4.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
N-(4-methylphenyl)-4-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-1-carboxamide
CID 52998819
4-[2-[[(3R)-3-(azepan-1-yl)butyl]amino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide
CID 95065266
2-(azetidin-3-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 64611423
1-N-(4-phenylbutan-2-yl)piperidine-1,4-dicarboxamide
CID 51074335
4-[2-[2-(4-benzylpiperazin-1-yl)ethylamino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide
CID 52998801
N-(4-bromophenyl)-3-oxo-4-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]piperazine-1-carboxamide
CID 93072611
3-N-(5-methylhexan-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 24659153
4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 108867010
4-N-(6-methylheptan-2-yl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 51158606
ethyl 1-[[(2R)-4-phenylbutan-2-yl]carbamoyl]piperidine-4-carboxylate
CID 27534219
1-N-phenyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide
CID 3222789

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]-N-phenylpiperidine-1-carboxamide (CID 93071884) is 4-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]-N-phenylpiperidine-1-carboxamide is C[C@@H](CCc1ccccc1)NC(=O)CC1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is PIBSRJHNMIHBKS-IBGZPJMESA-N. The full InChI is InChI=1S/C24H31N3O2/c1-19(12-13-20-8-4-2-5-9-20)25-23(28)18-21-14-16-27(17-15-21)24(29)26-22-10-6-3-7-11-22/h2-11,19,21H,12-18H2,1H3,(H,25,28)(H,26,29)/t19-/m0/s1.
What are the key properties of 4-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]-N-phenylpiperidine-1-carboxamide?
4-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]-N-phenylpiperidine-1-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 93071884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).