(3R)-1-(2-chlorobenzoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide

C21H23ClN2O3 — CID 94082337

IUPAC(3R)-1-(2-chlorobenzoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)[C@@H]1CCCN(C(=O)c2ccccc2Cl)C1
InChIInChI=1S/C21H23ClN2O3/c1-27-19-11-5-2-7-15(19)13-23-20(25)16-8-6-12-24(14-16)21(26)17-9-3-4-10-18(17)22/h2-5,7,9-11,16H,6,8,12-14H2,1H3,(H,23,25)/t16-/m1/s1
InChIKeyARHDFUZXWKMULG-MRXNPFEDSA-N
MW386.88 g/mol
LogP3.52
Rot. Bonds5

About (3R)-1-(2-chlorobenzoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide

(3R)-1-(2-chlorobenzoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide (PubChem CID 94082337) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is (3R)-1-(2-chlorobenzoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-chlorobenzoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide
PubChem CID94082337
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Name(3R)-1-(2-chlorobenzoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)[C@@H]1CCCN(C(=O)c2ccccc2Cl)C1
InChIInChI=1S/C21H23ClN2O3/c1-27-19-11-5-2-7-15(19)13-23-20(25)16-8-6-12-24(14-16)21(26)17-9-3-4-10-18(17)22/h2-5,7,9-11,16H,6,8,12-14H2,1H3,(H,23,25)/t16-/m1/s1
InChIKeyARHDFUZXWKMULG-MRXNPFEDSA-N
XLogP3.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-(2-fluorobenzoyl)piperidine-3-carboxamide
CID 94082480
(3S)-3-N-[(2-methoxyphenyl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9083501
(3S)-1-(2-chlorobenzoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 94082313
1-(2-chlorobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 50804467
(3R)-N-[(2-methoxyphenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 94082698
(3S)-1-(2-chlorobenzoyl)-N-(3,5-dimethoxyphenyl)piperidine-3-carboxamide
CID 94082311
N-[(2-methoxyphenyl)methyl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 53087698
N-(4-fluorophenyl)-5-[(3R)-3-[(2-methoxyphenyl)methylcarbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 92890455
(3S)-1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 93486945
(3R)-1-(2-chlorobenzoyl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94082374
N-[(2-chlorophenyl)methyl]-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 50803849
N-[(2-methoxyphenyl)methyl]-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 43921128

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-chlorobenzoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-chlorobenzoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide (CID 94082337) is (3R)-1-(2-chlorobenzoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-chlorobenzoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-chlorobenzoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide is COc1ccccc1CNC(=O)[C@@H]1CCCN(C(=O)c2ccccc2Cl)C1.
What is the InChIKey of (3R)-1-(2-chlorobenzoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is ARHDFUZXWKMULG-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-27-19-11-5-2-7-15(19)13-23-20(25)16-8-6-12-24(14-16)21(26)17-9-3-4-10-18(17)22/h2-5,7,9-11,16H,6,8,12-14H2,1H3,(H,23,25)/t16-/m1/s1.
What are the key properties of (3R)-1-(2-chlorobenzoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide?
(3R)-1-(2-chlorobenzoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 386.88 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-chlorobenzoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 94082337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).