1-[(3-chlorophenyl)methyl]-N-[(1R)-1-(2,4-dimethylphenyl)propyl]piperidine-4-carboxamide

C24H31ClN2O — CID 94014096

IUPAC1-[(3-chlorophenyl)methyl]-N-[(1R)-1-(2,4-dimethylphenyl)propyl]piperidine-4-carboxamide
SMILESCC[C@@H](NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1)c1ccc(C)cc1C
InChIInChI=1S/C24H31ClN2O/c1-4-23(22-9-8-17(2)14-18(22)3)26-24(28)20-10-12-27(13-11-20)16-19-6-5-7-21(25)15-19/h5-9,14-15,20,23H,4,10-13,16H2,1-3H3,(H,26,28)/t23-/m1/s1
InChIKeyODQLFUFTYKDYSY-HSZRJFAPSA-N
MW398.98 g/mol
LogP5.44
Rot. Bonds6

About 1-[(3-chlorophenyl)methyl]-N-[(1R)-1-(2,4-dimethylphenyl)propyl]piperidine-4-carboxamide

1-[(3-chlorophenyl)methyl]-N-[(1R)-1-(2,4-dimethylphenyl)propyl]piperidine-4-carboxamide (PubChem CID 94014096) has the molecular formula C24H31ClN2O and a molecular weight of 398.98 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-N-[(1R)-1-(2,4-dimethylphenyl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-N-[(1R)-1-(2,4-dimethylphenyl)propyl]piperidine-4-carboxamide
PubChem CID94014096
Molecular FormulaC24H31ClN2O
Molecular Weight398.98 g/mol
Exact Mass398.21
IUPAC Name1-[(3-chlorophenyl)methyl]-N-[(1R)-1-(2,4-dimethylphenyl)propyl]piperidine-4-carboxamide
SMILESCC[C@@H](NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1)c1ccc(C)cc1C
InChIInChI=1S/C24H31ClN2O/c1-4-23(22-9-8-17(2)14-18(22)3)26-24(28)20-10-12-27(13-11-20)16-19-6-5-7-21(25)15-19/h5-9,14-15,20,23H,4,10-13,16H2,1-3H3,(H,26,28)/t23-/m1/s1
InChIKeyODQLFUFTYKDYSY-HSZRJFAPSA-N
XLogP5.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.98
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 94014092
1-[(3-chlorophenyl)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]piperidine-4-carboxamide
CID 46776366
1-[(3-methylphenyl)methyl]-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 94024759
N-[(1S)-1-(2,4-dimethylphenyl)propyl]-1-methylpiperidine-4-carboxamide
CID 99970775
N-[1-(2,4-dimethylphenyl)ethyl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 46776363
1-[(3-chlorophenyl)methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide
CID 46766881
1-[(4-chlorophenyl)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]piperidine-4-carboxamide
CID 46776367
1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53284862
1-[(4-methylphenyl)methyl]-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 94024761
1-[(3-chlorophenyl)methyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 1343521
1-[(3-chlorophenyl)methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]piperidine-4-carboxamide
CID 100751573
N-[(1R)-1-(2,4-dimethylphenyl)propyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 94014114

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-N-[(1R)-1-(2,4-dimethylphenyl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-N-[(1R)-1-(2,4-dimethylphenyl)propyl]piperidine-4-carboxamide (CID 94014096) is 1-[(3-chlorophenyl)methyl]-N-[(1R)-1-(2,4-dimethylphenyl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-N-[(1R)-1-(2,4-dimethylphenyl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-N-[(1R)-1-(2,4-dimethylphenyl)propyl]piperidine-4-carboxamide is CC[C@@H](NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1)c1ccc(C)cc1C.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-N-[(1R)-1-(2,4-dimethylphenyl)propyl]piperidine-4-carboxamide?
The InChIKey is ODQLFUFTYKDYSY-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H31ClN2O/c1-4-23(22-9-8-17(2)14-18(22)3)26-24(28)20-10-12-27(13-11-20)16-19-6-5-7-21(25)15-19/h5-9,14-15,20,23H,4,10-13,16H2,1-3H3,(H,26,28)/t23-/m1/s1.
What are the key properties of 1-[(3-chlorophenyl)methyl]-N-[(1R)-1-(2,4-dimethylphenyl)propyl]piperidine-4-carboxamide?
1-[(3-chlorophenyl)methyl]-N-[(1R)-1-(2,4-dimethylphenyl)propyl]piperidine-4-carboxamide has a molecular weight of 398.98 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-N-[(1R)-1-(2,4-dimethylphenyl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 94014096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).