1-(3,4-dichlorobenzoyl)-N-(2,4-dimethylphenyl)piperidine-3-carboxamide

C21H22Cl2N2O2 — CID 55631455

IUPAC1-(3,4-dichlorobenzoyl)-N-(2,4-dimethylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)c(C)c1
InChIInChI=1S/C21H22Cl2N2O2/c1-13-5-8-19(14(2)10-13)24-20(26)16-4-3-9-25(12-16)21(27)15-6-7-17(22)18(23)11-15/h5-8,10-11,16H,3-4,9,12H2,1-2H3,(H,24,26)
InChIKeyFQQVSUIKKCNCKI-UHFFFAOYSA-N
MW405.33 g/mol
LogP5.10
Rot. Bonds3

About 1-(3,4-dichlorobenzoyl)-N-(2,4-dimethylphenyl)piperidine-3-carboxamide

1-(3,4-dichlorobenzoyl)-N-(2,4-dimethylphenyl)piperidine-3-carboxamide (PubChem CID 55631455) has the molecular formula C21H22Cl2N2O2 and a molecular weight of 405.33 g/mol. Its IUPAC name is 1-(3,4-dichlorobenzoyl)-N-(2,4-dimethylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-dichlorobenzoyl)-N-(2,4-dimethylphenyl)piperidine-3-carboxamide
PubChem CID55631455
Molecular FormulaC21H22Cl2N2O2
Molecular Weight405.33 g/mol
Exact Mass404.11
IUPAC Name1-(3,4-dichlorobenzoyl)-N-(2,4-dimethylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)c(C)c1
InChIInChI=1S/C21H22Cl2N2O2/c1-13-5-8-19(14(2)10-13)24-20(26)16-4-3-9-25(12-16)21(27)15-6-7-17(22)18(23)11-15/h5-8,10-11,16H,3-4,9,12H2,1-2H3,(H,24,26)
InChIKeyFQQVSUIKKCNCKI-UHFFFAOYSA-N
XLogP5.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.33
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dichlorobenzoyl)-N-(2,4-dimethylphenyl)piperidine-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

(3R)-N-(4-chloro-2-methylphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082776
N-(2,4-dimethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
CID 50804308
(3R)-1-(3,5-dimethylbenzoyl)-N-(2,5-dimethylphenyl)piperidine-3-carboxamide
CID 94082819
N-(2,4-dimethylphenyl)-1-(2-fluorobenzoyl)piperidine-3-carboxamide
CID 50803874
(3S)-N-(2,4-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 95160432
1-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 55633097
(2S)-2-[[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 119237802
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide
CID 55632633
1-(3,4-dichlorobenzoyl)-N-(2-hydroxypropyl)piperidine-3-carboxamide
CID 78862407
1-acetyl-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide
CID 47118469
N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 46485417
1-(3,4-dichlorobenzoyl)-N-[2-(ethylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 55633427

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorobenzoyl)-N-(2,4-dimethylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(3,4-dichlorobenzoyl)-N-(2,4-dimethylphenyl)piperidine-3-carboxamide (CID 55631455) is 1-(3,4-dichlorobenzoyl)-N-(2,4-dimethylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3,4-dichlorobenzoyl)-N-(2,4-dimethylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3,4-dichlorobenzoyl)-N-(2,4-dimethylphenyl)piperidine-3-carboxamide is Cc1ccc(NC(=O)C2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)c(C)c1.
What is the InChIKey of 1-(3,4-dichlorobenzoyl)-N-(2,4-dimethylphenyl)piperidine-3-carboxamide?
The InChIKey is FQQVSUIKKCNCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N2O2/c1-13-5-8-19(14(2)10-13)24-20(26)16-4-3-9-25(12-16)21(27)15-6-7-17(22)18(23)11-15/h5-8,10-11,16H,3-4,9,12H2,1-2H3,(H,24,26).
What are the key properties of 1-(3,4-dichlorobenzoyl)-N-(2,4-dimethylphenyl)piperidine-3-carboxamide?
1-(3,4-dichlorobenzoyl)-N-(2,4-dimethylphenyl)piperidine-3-carboxamide has a molecular weight of 405.33 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorobenzoyl)-N-(2,4-dimethylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 55631455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).