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

C22H25Cl2N3O2 — CID 16909938

IUPAC1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESO=C(CN1CCC(C(=O)NCCc2ccccc2)CC1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H25Cl2N3O2/c23-19-7-6-18(14-20(19)24)26-21(28)15-27-12-9-17(10-13-27)22(29)25-11-8-16-4-2-1-3-5-16/h1-7,14,17H,8-13,15H2,(H,25,29)(H,26,28)
InChIKeyWYPQKKZXTASYNW-UHFFFAOYSA-N
MW434.37 g/mol
LogP4.00
Rot. Bonds7

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

1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide (PubChem CID 16909938) has the molecular formula C22H25Cl2N3O2 and a molecular weight of 434.37 g/mol. Its IUPAC name is 1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide
PubChem CID16909938
Molecular FormulaC22H25Cl2N3O2
Molecular Weight434.37 g/mol
Exact Mass433.13
IUPAC Name1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESO=C(CN1CCC(C(=O)NCCc2ccccc2)CC1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H25Cl2N3O2/c23-19-7-6-18(14-20(19)24)26-21(28)15-27-12-9-17(10-13-27)22(29)25-11-8-16-4-2-1-3-5-16/h1-7,14,17H,8-13,15H2,(H,25,29)(H,26,28)
InChIKeyWYPQKKZXTASYNW-UHFFFAOYSA-N
XLogP4.00
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 54.00
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
1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 16909918
N-[(4-chlorophenyl)methyl]-1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909933
1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 16909954
1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 16910175
N-cyclohexyl-1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909920
N-[2-(4-methoxyphenyl)ethyl]-1-[2-(4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16809626
1-[2-(4-methylphenyl)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 11810626
N-(3-methoxypropyl)-1-[2-oxo-2-(2-phenylethylamino)ethyl]piperidine-4-carboxamide
CID 55909398
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 17383605
N-(3-chloro-4-methylphenyl)-1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909395
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 2903396

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide (CID 16909938) is 1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide is O=C(CN1CCC(C(=O)NCCc2ccccc2)CC1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The InChIKey is WYPQKKZXTASYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N3O2/c23-19-7-6-18(14-20(19)24)26-21(28)15-27-12-9-17(10-13-27)22(29)25-11-8-16-4-2-1-3-5-16/h1-7,14,17H,8-13,15H2,(H,25,29)(H,26,28).
What are the key properties of 1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide?
1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide has a molecular weight of 434.37 g/mol, XLogP of 4.00, 7 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-(2-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 16909938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).