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

C20H27ClN2O2 — CID 24793151

IUPACN-[(3-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C20H27ClN2O2/c21-18-8-4-7-16(11-18)12-22-20(25)17-9-10-19(24)23(14-17)13-15-5-2-1-3-6-15/h4,7-8,11,15,17H,1-3,5-6,9-10,12-14H2,(H,22,25)
InChIKeyYCBHKXAIZMYTBT-UHFFFAOYSA-N
MW362.90 g/mol
LogP3.78
Rot. Bonds5

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

N-[(3-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide (PubChem CID 24793151) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide
PubChem CID24793151
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC NameN-[(3-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C20H27ClN2O2/c21-18-8-4-7-16(11-18)12-22-20(25)17-9-10-19(24)23(14-17)13-15-5-2-1-3-6-15/h4,7-8,11,15,17H,1-3,5-6,9-10,12-14H2,(H,22,25)
InChIKeyYCBHKXAIZMYTBT-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

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide (CID 24793151) is N-[(3-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide is O=C(NCc1cccc(Cl)c1)C1CCC(=O)N(CC2CCCCC2)C1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is YCBHKXAIZMYTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O2/c21-18-8-4-7-16(11-18)12-22-20(25)17-9-10-19(24)23(14-17)13-15-5-2-1-3-6-15/h4,7-8,11,15,17H,1-3,5-6,9-10,12-14H2,(H,22,25).
What are the key properties of N-[(3-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide?
N-[(3-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-[(3-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24793151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).