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

C20H27Cl2N3O2 — CID 16909920

IUPACN-cyclohexyl-1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESO=C(CN1CCC(C(=O)NC2CCCCC2)CC1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H27Cl2N3O2/c21-17-7-6-16(12-18(17)22)23-19(26)13-25-10-8-14(9-11-25)20(27)24-15-4-2-1-3-5-15/h6-7,12,14-15H,1-5,8-11,13H2,(H,23,26)(H,24,27)
InChIKeyPLAMAXLIVQCEPB-UHFFFAOYSA-N
MW412.36 g/mol
LogP4.09
Rot. Bonds5

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

N-cyclohexyl-1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 16909920) has the molecular formula C20H27Cl2N3O2 and a molecular weight of 412.36 g/mol. Its IUPAC name is N-cyclohexyl-1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID16909920
Molecular FormulaC20H27Cl2N3O2
Molecular Weight412.36 g/mol
Exact Mass411.15
IUPAC NameN-cyclohexyl-1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESO=C(CN1CCC(C(=O)NC2CCCCC2)CC1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H27Cl2N3O2/c21-17-7-6-16(12-18(17)22)23-19(26)13-25-10-8-14(9-11-25)20(27)24-15-4-2-1-3-5-15/h6-7,12,14-15H,1-5,8-11,13H2,(H,23,26)(H,24,27)
InChIKeyPLAMAXLIVQCEPB-UHFFFAOYSA-N
XLogP4.09
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.36
LogP ≤ 54.09
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
2-chloro-N-cyclohexyl-5-[(2-piperidin-1-ylacetyl)amino]benzamide
CID 54815159
N-cyclopentyl-1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909326
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
N-cyclopropyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909883
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclohexanecarboxamide
CID 3220728
1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 16909918
N-(3,4-dichlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545984
1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 16909938
N-[1-[2-(4-fluoroanilino)-2-oxoethyl]piperidin-4-yl]cyclobutanecarboxamide
CID 165434114
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 16589812

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide (CID 16909920) is N-cyclohexyl-1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide is O=C(CN1CCC(C(=O)NC2CCCCC2)CC1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-cyclohexyl-1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is PLAMAXLIVQCEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27Cl2N3O2/c21-17-7-6-16(12-18(17)22)23-19(26)13-25-10-8-14(9-11-25)20(27)24-15-4-2-1-3-5-15/h6-7,12,14-15H,1-5,8-11,13H2,(H,23,26)(H,24,27).
What are the key properties of N-cyclohexyl-1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide?
N-cyclohexyl-1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 412.36 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 16909920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).