1-[(3-chlorophenyl)methyl]-N,6-diphenylpiperidine-3-carboxamide

C25H25ClN2O — CID 42869809

IUPAC1-[(3-chlorophenyl)methyl]-N,6-diphenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CCC(c2ccccc2)N(Cc2cccc(Cl)c2)C1
InChIInChI=1S/C25H25ClN2O/c26-22-11-7-8-19(16-22)17-28-18-21(25(29)27-23-12-5-2-6-13-23)14-15-24(28)20-9-3-1-4-10-20/h1-13,16,21,24H,14-15,17-18H2,(H,27,29)
InChIKeyXQVYYFJSLXBLHM-UHFFFAOYSA-N
MW404.94 g/mol
LogP5.93
Rot. Bonds5

About 1-[(3-chlorophenyl)methyl]-N,6-diphenylpiperidine-3-carboxamide

1-[(3-chlorophenyl)methyl]-N,6-diphenylpiperidine-3-carboxamide (PubChem CID 42869809) has the molecular formula C25H25ClN2O and a molecular weight of 404.94 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-N,6-diphenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-N,6-diphenylpiperidine-3-carboxamide
PubChem CID42869809
Molecular FormulaC25H25ClN2O
Molecular Weight404.94 g/mol
Exact Mass404.17
IUPAC Name1-[(3-chlorophenyl)methyl]-N,6-diphenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CCC(c2ccccc2)N(Cc2cccc(Cl)c2)C1
InChIInChI=1S/C25H25ClN2O/c26-22-11-7-8-19(16-22)17-28-18-21(25(29)27-23-12-5-2-6-13-23)14-15-24(28)20-9-3-1-4-10-20/h1-13,16,21,24H,14-15,17-18H2,(H,27,29)
InChIKeyXQVYYFJSLXBLHM-UHFFFAOYSA-N
XLogP5.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.94
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,6S)-1-[(3-chlorophenyl)methyl]-6-phenyl-N-prop-2-enylpiperidine-3-carboxamide
CID 93000723
[1-[(3-chlorophenyl)methyl]-6-phenylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 42869813
1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 18089102
(3S,6S)-1-benzyl-N-(cyclopropylmethyl)-6-phenylpiperidine-3-carboxamide
CID 98754943
N-(3-chlorophenyl)-1-(2-methoxyacetyl)-6-phenylpiperidine-3-carboxamide
CID 42868356
ethyl (3R)-1-[(3R,6R)-1-[(3-chlorophenyl)methyl]-6-phenylpiperidine-3-carbonyl]piperidine-3-carboxylate
CID 93000733
(3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490524
(3R)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490525
(3R,6R)-1-[(4-fluorophenyl)methyl]-6-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92984791
N-(4-chlorophenyl)-6-(3-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 42869311
1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53284862
4-N-[(3-chlorophenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 7478442

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-N,6-diphenylpiperidine-3-carboxamide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-N,6-diphenylpiperidine-3-carboxamide (CID 42869809) is 1-[(3-chlorophenyl)methyl]-N,6-diphenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-N,6-diphenylpiperidine-3-carboxamide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-N,6-diphenylpiperidine-3-carboxamide is O=C(Nc1ccccc1)C1CCC(c2ccccc2)N(Cc2cccc(Cl)c2)C1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-N,6-diphenylpiperidine-3-carboxamide?
The InChIKey is XQVYYFJSLXBLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O/c26-22-11-7-8-19(16-22)17-28-18-21(25(29)27-23-12-5-2-6-13-23)14-15-24(28)20-9-3-1-4-10-20/h1-13,16,21,24H,14-15,17-18H2,(H,27,29).
What are the key properties of 1-[(3-chlorophenyl)methyl]-N,6-diphenylpiperidine-3-carboxamide?
1-[(3-chlorophenyl)methyl]-N,6-diphenylpiperidine-3-carboxamide has a molecular weight of 404.94 g/mol, XLogP of 5.93, 5 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,6-diphenylpiperidine-3-carboxamide is sourced from PubChem (CID 42869809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).