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

C21H23ClN2O2 — CID 50803849

IUPACN-[(2-chlorophenyl)methyl]-1-(3-methylbenzoyl)piperidine-3-carboxamide
SMILESCc1cccc(C(=O)N2CCCC(C(=O)NCc3ccccc3Cl)C2)c1
InChIInChI=1S/C21H23ClN2O2/c1-15-6-4-8-16(12-15)21(26)24-11-5-9-18(14-24)20(25)23-13-17-7-2-3-10-19(17)22/h2-4,6-8,10,12,18H,5,9,11,13-14H2,1H3,(H,23,25)
InChIKeyZLPRECJUWBBULW-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.82
Rot. Bonds4

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

N-[(2-chlorophenyl)methyl]-1-(3-methylbenzoyl)piperidine-3-carboxamide (PubChem CID 50803849) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-(3-methylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-(3-methylbenzoyl)piperidine-3-carboxamide
PubChem CID50803849
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC NameN-[(2-chlorophenyl)methyl]-1-(3-methylbenzoyl)piperidine-3-carboxamide
SMILESCc1cccc(C(=O)N2CCCC(C(=O)NCc3ccccc3Cl)C2)c1
InChIInChI=1S/C21H23ClN2O2/c1-15-6-4-8-16(12-15)21(26)24-11-5-9-18(14-24)20(25)23-13-17-7-2-3-10-19(17)22/h2-4,6-8,10,12,18H,5,9,11,13-14H2,1H3,(H,23,25)
InChIKeyZLPRECJUWBBULW-UHFFFAOYSA-N
XLogP3.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethylbenzoyl)-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 47048010
(3R)-N-[(4-methoxyphenyl)methyl]-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 94082533
N-cyclohexyl-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 50803988
(3R)-1-(3-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257324
1-(2-chlorobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 50804467
methyl 5-[3-[(2-chlorophenyl)methylcarbamoyl]piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 53067411
1-(3,5-dimethylbenzoyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 55788639
(3S)-N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 94082527
(3R)-1-(2-chlorobenzoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 94082337
1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 53067354
[1-(3-methylbenzoyl)piperidin-3-yl]-naphthalen-1-ylmethanone
CID 45202126
N-[(2-chlorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43924153

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-(3-methylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-(3-methylbenzoyl)piperidine-3-carboxamide (CID 50803849) is N-[(2-chlorophenyl)methyl]-1-(3-methylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-(3-methylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-(3-methylbenzoyl)piperidine-3-carboxamide is Cc1cccc(C(=O)N2CCCC(C(=O)NCc3ccccc3Cl)C2)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-(3-methylbenzoyl)piperidine-3-carboxamide?
The InChIKey is ZLPRECJUWBBULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-15-6-4-8-16(12-15)21(26)24-11-5-9-18(14-24)20(25)23-13-17-7-2-3-10-19(17)22/h2-4,6-8,10,12,18H,5,9,11,13-14H2,1H3,(H,23,25).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-(3-methylbenzoyl)piperidine-3-carboxamide?
N-[(2-chlorophenyl)methyl]-1-(3-methylbenzoyl)piperidine-3-carboxamide has a molecular weight of 370.88 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-(3-methylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 50803849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).