1-[(2,6-dichlorophenyl)methyl]-N-(3,4-dimethylphenyl)-N-methylpiperidine-3-carboxamide

C22H26Cl2N2O — CID 133254808

IUPAC1-[(2,6-dichlorophenyl)methyl]-N-(3,4-dimethylphenyl)-N-methylpiperidine-3-carboxamide
SMILESCc1ccc(N(C)C(=O)C2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1C
InChIInChI=1S/C22H26Cl2N2O/c1-15-9-10-18(12-16(15)2)25(3)22(27)17-6-5-11-26(13-17)14-19-20(23)7-4-8-21(19)24/h4,7-10,12,17H,5-6,11,13-14H2,1-3H3
InChIKeyVSRYJWUFYJZNNF-UHFFFAOYSA-N
MW405.37 g/mol
LogP5.49
Rot. Bonds4

About 1-[(2,6-dichlorophenyl)methyl]-N-(3,4-dimethylphenyl)-N-methylpiperidine-3-carboxamide

1-[(2,6-dichlorophenyl)methyl]-N-(3,4-dimethylphenyl)-N-methylpiperidine-3-carboxamide (PubChem CID 133254808) has the molecular formula C22H26Cl2N2O and a molecular weight of 405.37 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-N-(3,4-dimethylphenyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-N-(3,4-dimethylphenyl)-N-methylpiperidine-3-carboxamide
PubChem CID133254808
Molecular FormulaC22H26Cl2N2O
Molecular Weight405.37 g/mol
Exact Mass404.14
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-N-(3,4-dimethylphenyl)-N-methylpiperidine-3-carboxamide
SMILESCc1ccc(N(C)C(=O)C2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1C
InChIInChI=1S/C22H26Cl2N2O/c1-15-9-10-18(12-16(15)2)25(3)22(27)17-6-5-11-26(13-17)14-19-20(23)7-4-8-21(19)24/h4,7-10,12,17H,5-6,11,13-14H2,1-3H3
InChIKeyVSRYJWUFYJZNNF-UHFFFAOYSA-N
XLogP5.49
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.37
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(2,6-dichlorophenyl)methyl]-N-(3,4-dimethylphenyl)-N-methylpiperidine-3-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

(3S)-1-[(2,6-dichlorophenyl)methyl]-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 93490450
(3S)-1-[(2-chloro-6-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 24905028
1-[(2,6-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43918333
(3S)-1-[(2,6-dichlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]piperidine-3-carboxamide
CID 100778503
(3R)-1-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-N-methylpiperidine-3-carboxamide
CID 100777740
(3R)-1-[(2-chloro-6-fluorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 756890
(3R)-1-[(2,6-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 93490056
(3R)-1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)-N-methylpiperidine-3-carboxamide
CID 100778089
(3R)-N-tert-butyl-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93490092
ethyl 4-[1-[(2,6-dichlorophenyl)methyl]piperidine-3-carbonyl]piperazine-1-carboxylate
CID 43920595
1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-N-methylpiperidine-3-carboxamide
CID 133159211
(3R)-1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-N-methylpiperidine-3-carboxamide
CID 100777734

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-N-(3,4-dimethylphenyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-N-(3,4-dimethylphenyl)-N-methylpiperidine-3-carboxamide (CID 133254808) is 1-[(2,6-dichlorophenyl)methyl]-N-(3,4-dimethylphenyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-N-(3,4-dimethylphenyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-N-(3,4-dimethylphenyl)-N-methylpiperidine-3-carboxamide is Cc1ccc(N(C)C(=O)C2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1C.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-N-(3,4-dimethylphenyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is VSRYJWUFYJZNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2O/c1-15-9-10-18(12-16(15)2)25(3)22(27)17-6-5-11-26(13-17)14-19-20(23)7-4-8-21(19)24/h4,7-10,12,17H,5-6,11,13-14H2,1-3H3.
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-N-(3,4-dimethylphenyl)-N-methylpiperidine-3-carboxamide?
1-[(2,6-dichlorophenyl)methyl]-N-(3,4-dimethylphenyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 405.37 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-N-(3,4-dimethylphenyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 133254808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).