1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide

C20H19Cl4N3O2 — CID 16909974

IUPAC1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
SMILESO=C(CN1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H19Cl4N3O2/c21-15-3-1-13(9-17(15)23)25-19(28)11-27-7-5-12(6-8-27)20(29)26-14-2-4-16(22)18(24)10-14/h1-4,9-10,12H,5-8,11H2,(H,25,28)(H,26,29)
InChIKeyQDMFNZUTUFKUCZ-UHFFFAOYSA-N
MW475.20 g/mol
LogP5.59
Rot. Bonds5

About 1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide

1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide (PubChem CID 16909974) has the molecular formula C20H19Cl4N3O2 and a molecular weight of 475.20 g/mol. Its IUPAC name is 1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
PubChem CID16909974
Molecular FormulaC20H19Cl4N3O2
Molecular Weight475.20 g/mol
Exact Mass473.02
IUPAC Name1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
SMILESO=C(CN1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H19Cl4N3O2/c21-15-3-1-13(9-17(15)23)25-19(28)11-27-7-5-12(6-8-27)20(29)26-14-2-4-16(22)18(24)10-14/h1-4,9-10,12H,5-8,11H2,(H,25,28)(H,26,29)
InChIKeyQDMFNZUTUFKUCZ-UHFFFAOYSA-N
XLogP5.59
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.20
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-4-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

1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 16909954
N-cyclohexyl-1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909920
N-[(4-chlorophenyl)methyl]-1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909933
N-(3-chloro-4-methylphenyl)-1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909395
1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 16909918
1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 16909938
N-(3-chloro-4-methylphenyl)-1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909629
1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907508
1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 17486082
1-butanoyl-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
CID 113008513
N-(3,4-dichlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545984
N-(3-fluoro-4-methylphenyl)-1-[2-(4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909742

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide (CID 16909974) is 1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide is O=C(CN1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide?
The InChIKey is QDMFNZUTUFKUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl4N3O2/c21-15-3-1-13(9-17(15)23)25-19(28)11-27-7-5-12(6-8-27)20(29)26-14-2-4-16(22)18(24)10-14/h1-4,9-10,12H,5-8,11H2,(H,25,28)(H,26,29).
What are the key properties of 1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide?
1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide has a molecular weight of 475.20 g/mol, XLogP of 5.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 16909974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).