1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide

C19H21ClN2O — CID 18089102

IUPAC1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C19H21ClN2O/c20-17-6-4-5-15(13-17)14-22-11-9-16(10-12-22)19(23)21-18-7-2-1-3-8-18/h1-8,13,16H,9-12,14H2,(H,21,23)
InChIKeyLPSPVZVGKFMDQA-UHFFFAOYSA-N
MW328.84 g/mol
LogP4.19
Rot. Bonds4

About 1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide

1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 18089102) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
PubChem CID18089102
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C19H21ClN2O/c20-17-6-4-5-15(13-17)14-22-11-9-16(10-12-22)19(23)21-18-7-2-1-3-8-18/h1-8,13,16H,9-12,14H2,(H,21,23)
InChIKeyLPSPVZVGKFMDQA-UHFFFAOYSA-N
XLogP4.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53284862
1-[(3-chlorophenyl)methyl]-N-(3-ethoxyphenyl)piperidine-4-carboxamide
CID 53284530
1-[(3-chlorophenyl)methyl]-N-(2,3-dichlorophenyl)piperidine-4-carboxamide
CID 45012297
1-[(4-chloro-2-fluorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 99826811
1-[(3-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-4-carboxamide
CID 45008831
1-[(3-chlorophenyl)methyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 1343521
(3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490524
(3R)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490525
1-[(3-chlorophenyl)methyl]-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 45017648
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 43917657
1-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 45019171
(3S)-1-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 28875744

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide (CID 18089102) is 1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide is O=C(Nc1ccccc1)C1CCN(Cc2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is LPSPVZVGKFMDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c20-17-6-4-5-15(13-17)14-22-11-9-16(10-12-22)19(23)21-18-7-2-1-3-8-18/h1-8,13,16H,9-12,14H2,(H,21,23).
What are the key properties of 1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide?
1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 328.84 g/mol, XLogP of 4.19, 4 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-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 18089102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).