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

C21H25ClN2O — CID 43920320

IUPAC1-[(2-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CCCN(Cc3ccccc3Cl)C2)c1C
InChIInChI=1S/C21H25ClN2O/c1-15-7-5-11-20(16(15)2)23-21(25)18-9-6-12-24(14-18)13-17-8-3-4-10-19(17)22/h3-5,7-8,10-11,18H,6,9,12-14H2,1-2H3,(H,23,25)
InChIKeyLJTUGGUWKCUQJC-UHFFFAOYSA-N
MW356.90 g/mol
LogP4.81
Rot. Bonds4

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

1-[(2-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide (PubChem CID 43920320) has the molecular formula C21H25ClN2O and a molecular weight of 356.90 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
PubChem CID43920320
Molecular FormulaC21H25ClN2O
Molecular Weight356.90 g/mol
Exact Mass356.17
IUPAC Name1-[(2-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CCCN(Cc3ccccc3Cl)C2)c1C
InChIInChI=1S/C21H25ClN2O/c1-15-7-5-11-20(16(15)2)23-21(25)18-9-6-12-24(14-18)13-17-8-3-4-10-19(17)22/h3-5,7-8,10-11,18H,6,9,12-14H2,1-2H3,(H,23,25)
InChIKeyLJTUGGUWKCUQJC-UHFFFAOYSA-N
XLogP4.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-benzyl-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 93490945
(3R)-1-[(4-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 93490949
(3R)-1-[(2-chlorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 93490606
N-(5-chloro-2-methylphenyl)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43921598
(3S)-N-(3-chloro-2-methylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93491505
(3R)-1-[(2-chlorophenyl)methylsulfonyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 92641578
ethyl 2-[[(3R)-1-[(2-chlorophenyl)methyl]piperidine-3-carbonyl]amino]benzoate
CID 93490772
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 43933683
N-[(2-chlorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43924153
(3S)-1-[(2-chlorophenyl)methyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]piperidine-3-carboxamide
CID 93491921
(3R)-1-[(2-chlorophenyl)methyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]piperidine-3-carboxamide
CID 93491922
(3R)-1-[(2-chlorophenyl)methyl]-N-(2,5-dichlorophenyl)piperidine-3-carboxamide
CID 93490992

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide (CID 43920320) is 1-[(2-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide is Cc1cccc(NC(=O)C2CCCN(Cc3ccccc3Cl)C2)c1C.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide?
The InChIKey is LJTUGGUWKCUQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O/c1-15-7-5-11-20(16(15)2)23-21(25)18-9-6-12-24(14-18)13-17-8-3-4-10-19(17)22/h3-5,7-8,10-11,18H,6,9,12-14H2,1-2H3,(H,23,25).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide?
1-[(2-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide has a molecular weight of 356.90 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 43920320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).