1-acetyl-N-(cyclohexylmethyl)-N-methylpiperidine-4-carboxamide

C16H28N2O2 — CID 39975101

IUPAC1-acetyl-N-(cyclohexylmethyl)-N-methylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(C)CC2CCCCC2)CC1
InChIInChI=1S/C16H28N2O2/c1-13(19)18-10-8-15(9-11-18)16(20)17(2)12-14-6-4-3-5-7-14/h14-15H,3-12H2,1-2H3
InChIKeyJRBHXUZFPSOMAA-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.28
Rot. Bonds3

About 1-acetyl-N-(cyclohexylmethyl)-N-methylpiperidine-4-carboxamide

1-acetyl-N-(cyclohexylmethyl)-N-methylpiperidine-4-carboxamide (PubChem CID 39975101) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-acetyl-N-(cyclohexylmethyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(cyclohexylmethyl)-N-methylpiperidine-4-carboxamide
PubChem CID39975101
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-acetyl-N-(cyclohexylmethyl)-N-methylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(C)CC2CCCCC2)CC1
InChIInChI=1S/C16H28N2O2/c1-13(19)18-10-8-15(9-11-18)16(20)17(2)12-14-6-4-3-5-7-14/h14-15H,3-12H2,1-2H3
InChIKeyJRBHXUZFPSOMAA-UHFFFAOYSA-N
XLogP2.28
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(cyclohexylmethyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(cyclohexylmethyl)-N-methylpiperidine-4-carboxamide (CID 39975101) is 1-acetyl-N-(cyclohexylmethyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(cyclohexylmethyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(cyclohexylmethyl)-N-methylpiperidine-4-carboxamide is CC(=O)N1CCC(C(=O)N(C)CC2CCCCC2)CC1.
What is the InChIKey of 1-acetyl-N-(cyclohexylmethyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is JRBHXUZFPSOMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-13(19)18-10-8-15(9-11-18)16(20)17(2)12-14-6-4-3-5-7-14/h14-15H,3-12H2,1-2H3.
What are the key properties of 1-acetyl-N-(cyclohexylmethyl)-N-methylpiperidine-4-carboxamide?
1-acetyl-N-(cyclohexylmethyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 280.41 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(cyclohexylmethyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 39975101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).