4-anilino-N-benzyl-1-(2-oxocyclohexyl)piperidine-4-carboxamide

C25H31N3O2 — CID 71159098

IUPAC4-anilino-N-benzyl-1-(2-oxocyclohexyl)piperidine-4-carboxamide
SMILESO=C1CCCCC1N1CCC(Nc2ccccc2)(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C25H31N3O2/c29-23-14-8-7-13-22(23)28-17-15-25(16-18-28,27-21-11-5-2-6-12-21)24(30)26-19-20-9-3-1-4-10-20/h1-6,9-12,22,27H,7-8,13-19H2,(H,26,30)
InChIKeyBMJQOJSQQMDKMV-UHFFFAOYSA-N
MW405.54 g/mol
LogP3.76
Rot. Bonds6

About 4-anilino-N-benzyl-1-(2-oxocyclohexyl)piperidine-4-carboxamide

4-anilino-N-benzyl-1-(2-oxocyclohexyl)piperidine-4-carboxamide (PubChem CID 71159098) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 4-anilino-N-benzyl-1-(2-oxocyclohexyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-anilino-N-benzyl-1-(2-oxocyclohexyl)piperidine-4-carboxamide
PubChem CID71159098
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name4-anilino-N-benzyl-1-(2-oxocyclohexyl)piperidine-4-carboxamide
SMILESO=C1CCCCC1N1CCC(Nc2ccccc2)(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C25H31N3O2/c29-23-14-8-7-13-22(23)28-17-15-25(16-18-28,27-21-11-5-2-6-12-21)24(30)26-19-20-9-3-1-4-10-20/h1-6,9-12,22,27H,7-8,13-19H2,(H,26,30)
InChIKeyBMJQOJSQQMDKMV-UHFFFAOYSA-N
XLogP3.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-anilino-N-benzylpiperidine-4-carboxamide
CID 53444066
2-(azetidin-1-yl)cyclohexan-1-one;benzene
CID 156803276
2-(4-phenylpiperidin-1-yl)cyclohexan-1-one
CID 15925759
(3aR,7aS)-N-benzyl-2-oxo-3,3a,4,5,6,7-hexahydro-1-benzofuran-7a-carboxamide
CID 132509501
N-benzyl-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 24664542
N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-phenylcyclopentane-1-carboxamide
CID 56922153
N-benzyl-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971956
N-benzyl-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
CID 47256655
(2S)-N-benzyl-2-(2-chlorophenyl)azepane-1-carboxamide
CID 93076759
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide
CID 55536071
N-benzylcyclopentanecarboxamide
CID 835634
4-[(benzylcarbamoylamino)methyl]benzoic acid
CID 61180965

Frequently Asked Questions

What is the IUPAC name of 4-anilino-N-benzyl-1-(2-oxocyclohexyl)piperidine-4-carboxamide?
The IUPAC name of 4-anilino-N-benzyl-1-(2-oxocyclohexyl)piperidine-4-carboxamide (CID 71159098) is 4-anilino-N-benzyl-1-(2-oxocyclohexyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-anilino-N-benzyl-1-(2-oxocyclohexyl)piperidine-4-carboxamide?
The canonical SMILES for 4-anilino-N-benzyl-1-(2-oxocyclohexyl)piperidine-4-carboxamide is O=C1CCCCC1N1CCC(Nc2ccccc2)(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of 4-anilino-N-benzyl-1-(2-oxocyclohexyl)piperidine-4-carboxamide?
The InChIKey is BMJQOJSQQMDKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c29-23-14-8-7-13-22(23)28-17-15-25(16-18-28,27-21-11-5-2-6-12-21)24(30)26-19-20-9-3-1-4-10-20/h1-6,9-12,22,27H,7-8,13-19H2,(H,26,30).
What are the key properties of 4-anilino-N-benzyl-1-(2-oxocyclohexyl)piperidine-4-carboxamide?
4-anilino-N-benzyl-1-(2-oxocyclohexyl)piperidine-4-carboxamide has a molecular weight of 405.54 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-N-benzyl-1-(2-oxocyclohexyl)piperidine-4-carboxamide is sourced from PubChem (CID 71159098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).