2-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N,1-dimethyl-6-oxopiperidine-3-carboxamide

C21H22Cl2N2O2 — CID 155949173

IUPAC2-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N,1-dimethyl-6-oxopiperidine-3-carboxamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)C1CCC(=O)N(C)C1c1cccc(Cl)c1
InChIInChI=1S/C21H22Cl2N2O2/c1-24(13-14-6-8-16(22)9-7-14)21(27)18-10-11-19(26)25(2)20(18)15-4-3-5-17(23)12-15/h3-9,12,18,20H,10-11,13H2,1-2H3
InChIKeyRSEAZVINDZXRNA-UHFFFAOYSA-N
MW405.33 g/mol
LogP4.56
Rot. Bonds4

About 2-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N,1-dimethyl-6-oxopiperidine-3-carboxamide

2-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N,1-dimethyl-6-oxopiperidine-3-carboxamide (PubChem CID 155949173) has the molecular formula C21H22Cl2N2O2 and a molecular weight of 405.33 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N,1-dimethyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N,1-dimethyl-6-oxopiperidine-3-carboxamide
PubChem CID155949173
Molecular FormulaC21H22Cl2N2O2
Molecular Weight405.33 g/mol
Exact Mass404.11
IUPAC Name2-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N,1-dimethyl-6-oxopiperidine-3-carboxamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)C1CCC(=O)N(C)C1c1cccc(Cl)c1
InChIInChI=1S/C21H22Cl2N2O2/c1-24(13-14-6-8-16(22)9-7-14)21(27)18-10-11-19(26)25(2)20(18)15-4-3-5-17(23)12-15/h3-9,12,18,20H,10-11,13H2,1-2H3
InChIKeyRSEAZVINDZXRNA-UHFFFAOYSA-N
XLogP4.56
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.33
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N,1-dimethyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N,1-dimethyl-6-oxopiperidine-3-carboxamide (CID 155949173) is 2-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N,1-dimethyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N,1-dimethyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N,1-dimethyl-6-oxopiperidine-3-carboxamide is CN(Cc1ccc(Cl)cc1)C(=O)C1CCC(=O)N(C)C1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N,1-dimethyl-6-oxopiperidine-3-carboxamide?
The InChIKey is RSEAZVINDZXRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N2O2/c1-24(13-14-6-8-16(22)9-7-14)21(27)18-10-11-19(26)25(2)20(18)15-4-3-5-17(23)12-15/h3-9,12,18,20H,10-11,13H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N,1-dimethyl-6-oxopiperidine-3-carboxamide?
2-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N,1-dimethyl-6-oxopiperidine-3-carboxamide has a molecular weight of 405.33 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N,1-dimethyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 155949173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).