N-[[2-(3-chlorophenyl)phenyl]methyl]-N-methylpiperidine-4-carboxamide

C20H23ClN2O — CID 46890961

IUPACN-[[2-(3-chlorophenyl)phenyl]methyl]-N-methylpiperidine-4-carboxamide
SMILESCN(Cc1ccccc1-c1cccc(Cl)c1)C(=O)C1CCNCC1
InChIInChI=1S/C20H23ClN2O/c1-23(20(24)15-9-11-22-12-10-15)14-17-5-2-3-8-19(17)16-6-4-7-18(21)13-16/h2-8,13,15,22H,9-12,14H2,1H3
InChIKeyKMOSCYPQQAYAGB-UHFFFAOYSA-N
MW342.87 g/mol
LogP3.96
Rot. Bonds4

About N-[[2-(3-chlorophenyl)phenyl]methyl]-N-methylpiperidine-4-carboxamide

N-[[2-(3-chlorophenyl)phenyl]methyl]-N-methylpiperidine-4-carboxamide (PubChem CID 46890961) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is N-[[2-(3-chlorophenyl)phenyl]methyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(3-chlorophenyl)phenyl]methyl]-N-methylpiperidine-4-carboxamide
PubChem CID46890961
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC NameN-[[2-(3-chlorophenyl)phenyl]methyl]-N-methylpiperidine-4-carboxamide
SMILESCN(Cc1ccccc1-c1cccc(Cl)c1)C(=O)C1CCNCC1
InChIInChI=1S/C20H23ClN2O/c1-23(20(24)15-9-11-22-12-10-15)14-17-5-2-3-8-19(17)16-6-4-7-18(21)13-16/h2-8,13,15,22H,9-12,14H2,1H3
InChIKeyKMOSCYPQQAYAGB-UHFFFAOYSA-N
XLogP3.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-(3-chlorophenyl)phenyl]methyl]-N-methylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[1-(benzylamino)-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetamide
CID 69520512
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(4-methyl-piperidin-1-yl)-butan-1-one
CID 10403949
N-[(1S)-1-[2-[1-[(3S,4R)-1-tert-butyl-4-(4-chloro-2-fluorophenyl)pyrrolidine-3-carbonyl]piperidin-4-yl]-5-chlorophenyl]propyl]acetamide
CID 44448660
2-(3-chlorophenyl)-6-fluoro-N-[[(3R,4S)-3-methylpiperidin-4-yl]methyl]benzamide
CID 46871844
1-[4-[(3-Chlorophenyl)methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 742520
2-[(4-chlorophenyl)methylamino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 2095903
2-[(3-chlorophenyl)methylamino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 2095911
2-[(3-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
CID 4881897
2-[(3-chlorophenyl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide
CID 4883960
2-(3-Chloro-phenyl)-N-[1-(4-iodo-benzyl)-piperidin-4-yl]-acetamide
CID 9804703
2-(3-Chloro-phenyl)-N-[1-(4-fluoro-benzyl)-piperidin-4-yl]-acetamide
CID 9841846
N-(1-benzylpiperidin-4-yl)-2-(2-chlorophenyl)acetamide
CID 10736122

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-chlorophenyl)phenyl]methyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-[[2-(3-chlorophenyl)phenyl]methyl]-N-methylpiperidine-4-carboxamide (CID 46890961) is N-[[2-(3-chlorophenyl)phenyl]methyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[[2-(3-chlorophenyl)phenyl]methyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[[2-(3-chlorophenyl)phenyl]methyl]-N-methylpiperidine-4-carboxamide is CN(Cc1ccccc1-c1cccc(Cl)c1)C(=O)C1CCNCC1.
What is the InChIKey of N-[[2-(3-chlorophenyl)phenyl]methyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is KMOSCYPQQAYAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c1-23(20(24)15-9-11-22-12-10-15)14-17-5-2-3-8-19(17)16-6-4-7-18(21)13-16/h2-8,13,15,22H,9-12,14H2,1H3.
What are the key properties of N-[[2-(3-chlorophenyl)phenyl]methyl]-N-methylpiperidine-4-carboxamide?
N-[[2-(3-chlorophenyl)phenyl]methyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 342.87 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-chlorophenyl)phenyl]methyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 46890961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).