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

C21H22Cl3N3O2 — CID 16909933

IUPACN-[(4-chlorophenyl)methyl]-1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESO=C(CN1CCC(C(=O)NCc2ccc(Cl)cc2)CC1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H22Cl3N3O2/c22-16-3-1-14(2-4-16)12-25-21(29)15-7-9-27(10-8-15)13-20(28)26-17-5-6-18(23)19(24)11-17/h1-6,11,15H,7-10,12-13H2,(H,25,29)(H,26,28)
InChIKeyYVWAKNHHUYWQQG-UHFFFAOYSA-N
MW454.79 g/mol
LogP4.61
Rot. Bonds6

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

N-[(4-chlorophenyl)methyl]-1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 16909933) has the molecular formula C21H22Cl3N3O2 and a molecular weight of 454.79 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID16909933
Molecular FormulaC21H22Cl3N3O2
Molecular Weight454.79 g/mol
Exact Mass453.08
IUPAC NameN-[(4-chlorophenyl)methyl]-1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESO=C(CN1CCC(C(=O)NCc2ccc(Cl)cc2)CC1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H22Cl3N3O2/c22-16-3-1-14(2-4-16)12-25-21(29)15-7-9-27(10-8-15)13-20(28)26-17-5-6-18(23)19(24)11-17/h1-6,11,15H,7-10,12-13H2,(H,25,29)(H,26,28)
InChIKeyYVWAKNHHUYWQQG-UHFFFAOYSA-N
XLogP4.61
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.79
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
CID 16909974
N-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43920957
1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 16909938
1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 16909918
N-cyclohexyl-1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909920
1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 16909954
1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907508
1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530947
1-[(2-chlorophenyl)methyl]-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45007673
N-benzyl-1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 25498632
1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55922959
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(3,4-dichlorophenyl)acetamide
CID 2685654

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide (CID 16909933) is N-[(4-chlorophenyl)methyl]-1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide is O=C(CN1CCC(C(=O)NCc2ccc(Cl)cc2)CC1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is YVWAKNHHUYWQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl3N3O2/c22-16-3-1-14(2-4-16)12-25-21(29)15-7-9-27(10-8-15)13-20(28)26-17-5-6-18(23)19(24)11-17/h1-6,11,15H,7-10,12-13H2,(H,25,29)(H,26,28).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 454.79 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 16909933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).