N-[2-(2-chlorophenyl)ethyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide

C21H29ClN2O2 — CID 24817314

IUPACN-[2-(2-chlorophenyl)ethyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide
SMILESO=C(NCCc1ccccc1Cl)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C21H29ClN2O2/c22-19-9-5-4-8-17(19)12-13-23-21(26)18-10-11-20(25)24(15-18)14-16-6-2-1-3-7-16/h4-5,8-9,16,18H,1-3,6-7,10-15H2,(H,23,26)
InChIKeySOCQOXXANSSFPF-UHFFFAOYSA-N
MW376.93 g/mol
LogP3.82
Rot. Bonds6

About N-[2-(2-chlorophenyl)ethyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide

N-[2-(2-chlorophenyl)ethyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide (PubChem CID 24817314) has the molecular formula C21H29ClN2O2 and a molecular weight of 376.93 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)ethyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)ethyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide
PubChem CID24817314
Molecular FormulaC21H29ClN2O2
Molecular Weight376.93 g/mol
Exact Mass376.19
IUPAC NameN-[2-(2-chlorophenyl)ethyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide
SMILESO=C(NCCc1ccccc1Cl)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C21H29ClN2O2/c22-19-9-5-4-8-17(19)12-13-23-21(26)18-10-11-20(25)24(15-18)14-16-6-2-1-3-7-16/h4-5,8-9,16,18H,1-3,6-7,10-15H2,(H,23,26)
InChIKeySOCQOXXANSSFPF-UHFFFAOYSA-N
XLogP3.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-chlorophenyl)ethyl]-1-cyclohexyl-5-oxo-3-pyrrolidinecarboxamide
CID 2926616
(4R,5R)-5-amino-4-(2-chlorophenyl)-1-(cyclohexylmethyl)piperidin-2-one
CID 16204462
N-(1-benzylpiperidin-4-yl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 17173959
N-(1-benzylpiperidin-4-yl)-2-(2-chlorophenyl)acetamide
CID 10736122
1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4877450
Cambridge id 7028241
CID 1534372
N-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 4129974
(3R,4S)-4-(4-chlorophenyl)-N-[5-[[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidine-3-carbonyl]amino]pentyl]-1-methylpiperidine-3-carboxamide
CID 9829594
2,2-Bis-(2-chloro-phenyl)-N-[3-(2,6-dimethyl-piperidin-1-yl)-propyl]-acetamide
CID 10048481
2,2-Bis-(4-chloro-phenyl)-N-[3-(2,6-dimethyl-piperidin-1-yl)-propyl]-acetamide
CID 10455544
(3R,4S)-4-(4-chlorophenyl)-N-[4-[[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidine-3-carbonyl]amino]butyl]-1-methylpiperidine-3-carboxamide
CID 10507063
(3R,4S)-4-(4-chlorophenyl)-N-[3-[[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidine-3-carbonyl]amino]propyl]-1-methylpiperidine-3-carboxamide
CID 10626375

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)ethyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)ethyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide (CID 24817314) is N-[2-(2-chlorophenyl)ethyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)ethyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)ethyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide is O=C(NCCc1ccccc1Cl)C1CCC(=O)N(CC2CCCCC2)C1.
What is the InChIKey of N-[2-(2-chlorophenyl)ethyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is SOCQOXXANSSFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN2O2/c22-19-9-5-4-8-17(19)12-13-23-21(26)18-10-11-20(25)24(15-18)14-16-6-2-1-3-7-16/h4-5,8-9,16,18H,1-3,6-7,10-15H2,(H,23,26).
What are the key properties of N-[2-(2-chlorophenyl)ethyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide?
N-[2-(2-chlorophenyl)ethyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 376.93 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)ethyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24817314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).