N-benzyl-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide

C20H28N2O2 — CID 24790143

IUPACN-benzyl-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1ccccc1)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C20H28N2O2/c23-19-12-11-18(15-22(19)14-17-9-5-2-6-10-17)20(24)21-13-16-7-3-1-4-8-16/h1,3-4,7-8,17-18H,2,5-6,9-15H2,(H,21,24)
InChIKeyKTSUNNGTLXYAJU-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.12
Rot. Bonds5

About N-benzyl-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide

N-benzyl-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide (PubChem CID 24790143) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-benzyl-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide
PubChem CID24790143
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN-benzyl-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1ccccc1)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C20H28N2O2/c23-19-12-11-18(15-22(19)14-17-9-5-2-6-10-17)20(24)21-13-16-7-3-1-4-8-16/h1,3-4,7-8,17-18H,2,5-6,9-15H2,(H,21,24)
InChIKeyKTSUNNGTLXYAJU-UHFFFAOYSA-N
XLogP3.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-benzyl-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide (CID 24790143) is N-benzyl-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide is O=C(NCc1ccccc1)C1CCC(=O)N(CC2CCCCC2)C1.
What is the InChIKey of N-benzyl-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is KTSUNNGTLXYAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c23-19-12-11-18(15-22(19)14-17-9-5-2-6-10-17)20(24)21-13-16-7-3-1-4-8-16/h1,3-4,7-8,17-18H,2,5-6,9-15H2,(H,21,24).
What are the key properties of N-benzyl-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide?
N-benzyl-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24790143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).