1-[(2-chlorophenyl)methyl]-N-(3-methyl-1-phenylbutyl)piperidine-3-carboxamide

C24H31ClN2O — CID 46776562

IUPAC1-[(2-chlorophenyl)methyl]-N-(3-methyl-1-phenylbutyl)piperidine-3-carboxamide
SMILESCC(C)CC(NC(=O)C1CCCN(Cc2ccccc2Cl)C1)c1ccccc1
InChIInChI=1S/C24H31ClN2O/c1-18(2)15-23(19-9-4-3-5-10-19)26-24(28)21-12-8-14-27(17-21)16-20-11-6-7-13-22(20)25/h3-7,9-11,13,18,21,23H,8,12,14-17H2,1-2H3,(H,26,28)
InChIKeyOAYUPJZVXUAENB-UHFFFAOYSA-N
MW398.98 g/mol
LogP5.46
Rot. Bonds7

About 1-[(2-chlorophenyl)methyl]-N-(3-methyl-1-phenylbutyl)piperidine-3-carboxamide

1-[(2-chlorophenyl)methyl]-N-(3-methyl-1-phenylbutyl)piperidine-3-carboxamide (PubChem CID 46776562) has the molecular formula C24H31ClN2O and a molecular weight of 398.98 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-(3-methyl-1-phenylbutyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-(3-methyl-1-phenylbutyl)piperidine-3-carboxamide
PubChem CID46776562
Molecular FormulaC24H31ClN2O
Molecular Weight398.98 g/mol
Exact Mass398.21
IUPAC Name1-[(2-chlorophenyl)methyl]-N-(3-methyl-1-phenylbutyl)piperidine-3-carboxamide
SMILESCC(C)CC(NC(=O)C1CCCN(Cc2ccccc2Cl)C1)c1ccccc1
InChIInChI=1S/C24H31ClN2O/c1-18(2)15-23(19-9-4-3-5-10-19)26-24(28)21-12-8-14-27(17-21)16-20-11-6-7-13-22(20)25/h3-7,9-11,13,18,21,23H,8,12,14-17H2,1-2H3,(H,26,28)
InChIKeyOAYUPJZVXUAENB-UHFFFAOYSA-N
XLogP5.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.98
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chlorophenyl)methyl]-N-[1-(4-methoxyphenyl)-3-methylbutyl]piperidine-3-carboxamide
CID 46776614
(3R)-N-benzhydryl-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 38102879
(3R)-1-[(2-chlorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide
CID 93491358
(3S)-1-[(2-chlorophenyl)methyl]-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 38102289
1-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 43918490
1-[(2,4-dichlorophenyl)methyl]-N-[(1S)-3-methyl-1-phenylbutyl]piperidine-4-carboxamide
CID 94025099
N-benzhydryl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43925892
(3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide
CID 93490052
1-[(2-chlorophenyl)methyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43923681
N-benzhydryl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43925897
(3R)-1-[(2,6-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 93490056
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methoxyphenyl)-3-methylbutyl]piperidine-3-carboxamide
CID 43933946

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(3-methyl-1-phenylbutyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(3-methyl-1-phenylbutyl)piperidine-3-carboxamide (CID 46776562) is 1-[(2-chlorophenyl)methyl]-N-(3-methyl-1-phenylbutyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-(3-methyl-1-phenylbutyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-(3-methyl-1-phenylbutyl)piperidine-3-carboxamide is CC(C)CC(NC(=O)C1CCCN(Cc2ccccc2Cl)C1)c1ccccc1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-(3-methyl-1-phenylbutyl)piperidine-3-carboxamide?
The InChIKey is OAYUPJZVXUAENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN2O/c1-18(2)15-23(19-9-4-3-5-10-19)26-24(28)21-12-8-14-27(17-21)16-20-11-6-7-13-22(20)25/h3-7,9-11,13,18,21,23H,8,12,14-17H2,1-2H3,(H,26,28).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-(3-methyl-1-phenylbutyl)piperidine-3-carboxamide?
1-[(2-chlorophenyl)methyl]-N-(3-methyl-1-phenylbutyl)piperidine-3-carboxamide has a molecular weight of 398.98 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-(3-methyl-1-phenylbutyl)piperidine-3-carboxamide is sourced from PubChem (CID 46776562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).