1-[(3-chlorophenyl)methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]piperidine-4-carboxamide

C23H29ClN2O — CID 100751573

IUPAC1-[(3-chlorophenyl)methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]piperidine-4-carboxamide
SMILESCCc1ccc([C@H](C)NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C23H29ClN2O/c1-3-18-7-9-20(10-8-18)17(2)25-23(27)21-11-13-26(14-12-21)16-19-5-4-6-22(24)15-19/h4-10,15,17,21H,3,11-14,16H2,1-2H3,(H,25,27)/t17-/m0/s1
InChIKeyAGIDWLAFPSQXLD-KRWDZBQOSA-N
MW384.95 g/mol
LogP4.99
Rot. Bonds6

About 1-[(3-chlorophenyl)methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]piperidine-4-carboxamide

1-[(3-chlorophenyl)methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 100751573) has the molecular formula C23H29ClN2O and a molecular weight of 384.95 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]piperidine-4-carboxamide
PubChem CID100751573
Molecular FormulaC23H29ClN2O
Molecular Weight384.95 g/mol
Exact Mass384.20
IUPAC Name1-[(3-chlorophenyl)methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]piperidine-4-carboxamide
SMILESCCc1ccc([C@H](C)NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C23H29ClN2O/c1-3-18-7-9-20(10-8-18)17(2)25-23(27)21-11-13-26(14-12-21)16-19-5-4-6-22(24)15-19/h4-10,15,17,21H,3,11-14,16H2,1-2H3,(H,25,27)/t17-/m0/s1
InChIKeyAGIDWLAFPSQXLD-KRWDZBQOSA-N
XLogP4.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.95
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-chlorophenyl)methyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 1343521
1-[(3-chlorophenyl)methyl]-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 46776268
1-[(4-chlorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 2187102
1-[(3-chlorophenyl)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]piperidine-4-carboxamide
CID 46776366
1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 94024263
1-[(3-chlorophenyl)methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide
CID 46766881
1-[(2,6-dichlorophenyl)methyl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 94024123
1-[(4-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 46776173
1-[(3-chlorophenyl)methyl]-N-[(1R)-1-(2,4-dimethylphenyl)propyl]piperidine-4-carboxamide
CID 94014096
1-[(4-methoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 51361840
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 94013963
N-[(1S)-1-(4-ethylphenyl)ethyl]-1-[(1-methylindol-3-yl)methyl]piperidine-4-carboxamide
CID 95056572

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]piperidine-4-carboxamide (CID 100751573) is 1-[(3-chlorophenyl)methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]piperidine-4-carboxamide is CCc1ccc([C@H](C)NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is AGIDWLAFPSQXLD-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H29ClN2O/c1-3-18-7-9-20(10-8-18)17(2)25-23(27)21-11-13-26(14-12-21)16-19-5-4-6-22(24)15-19/h4-10,15,17,21H,3,11-14,16H2,1-2H3,(H,25,27)/t17-/m0/s1.
What are the key properties of 1-[(3-chlorophenyl)methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]piperidine-4-carboxamide?
1-[(3-chlorophenyl)methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 384.95 g/mol, XLogP of 4.99, 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-[(1S)-1-(4-ethylphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 100751573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).