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

C20H27ClN2O2 — CID 24816623

IUPACN-[(2-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C20H27ClN2O2/c21-18-9-5-4-8-16(18)12-22-20(25)17-10-11-19(24)23(14-17)13-15-6-2-1-3-7-15/h4-5,8-9,15,17H,1-3,6-7,10-14H2,(H,22,25)
InChIKeyCAAJTKFFCLEBHG-UHFFFAOYSA-N
MW362.90 g/mol
LogP3.78
Rot. Bonds5

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

N-[(2-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide (PubChem CID 24816623) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide
PubChem CID24816623
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC NameN-[(2-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C20H27ClN2O2/c21-18-9-5-4-8-16(18)12-22-20(25)17-10-11-19(24)23(14-17)13-15-6-2-1-3-7-15/h4-5,8-9,15,17H,1-3,6-7,10-14H2,(H,22,25)
InChIKeyCAAJTKFFCLEBHG-UHFFFAOYSA-N
XLogP3.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(S)-Amino-4-(2-chloro-benzylamino)-1-piperidin-1-yl-butan-1-one
CID 11232123
N-[(2-chlorophenyl)methyl]pentanamide
CID 2218154
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-chlorobenzamide hydrochloride
CID 14783875
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(4-methyl-piperidin-1-yl)-butan-1-one
CID 10403949
(2S,4S)-4-(4-chlorobenzylamino)-2-amino-1-(piperidin-1-yl)pentan-1-one
CID 16046127
N-((1S)-3-(4-(2-(4-chlorophenyl)-N-ethylacetamido)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide
CID 44590633
1-[4-(2-Chloro-benzyl)-piperazin-1-yl]-3-methyl-butan-1-one
CID 773315
1-[4-[(4-Chlorobenzoyl)amino]butanoyl]piperidine-3-carboxamide
CID 16323002
N-(1-benzylpiperidin-4-yl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 17173959
2-chloro-N-[3-(3-methyl-1-piperidinyl)-3-oxopropyl]benzamide
CID 18135825
2-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]benzamide
CID 24818329
1-benzyl-N-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4880709

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide (CID 24816623) is N-[(2-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide is O=C(NCc1ccccc1Cl)C1CCC(=O)N(CC2CCCCC2)C1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is CAAJTKFFCLEBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O2/c21-18-9-5-4-8-16(18)12-22-20(25)17-10-11-19(24)23(14-17)13-15-6-2-1-3-7-15/h4-5,8-9,15,17H,1-3,6-7,10-14H2,(H,22,25).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide?
N-[(2-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 362.90 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24816623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).