1-cyclohexyl-N-(2-hydroxyethyl)-N-methylpiperidine-3-carboxamide

• ChemBase ID: 782926
• Molecular Formular: C15H28N2O2
• Molecular Mass: 268.39502
• Monoisotopic Mass: 268.21507815
• SMILES: C1(C(=O)N(CCO)C)CN(C2CCCCC2)CCC1
• Canonical SMILES: OCCN(C(=O)C1CCCN(C1)C1CCCCC1)C
• InChI: InChI=1S/C15H28N2O2/c1-16(10-11-18)15(19)13-6-5-9-17(12-13)14-7-3-2-4-8-14/h13-14,18H,2-12H2,1H3
• InChIKey: AELQOWYMFNMFSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexyl-N-(2-hydroxyethyl)-N-methylpiperidine-3-carboxamide
• IUPAC Traditional name: 1-cyclohexyl-N-(2-hydroxyethyl)-N-methylpiperidine-3-carboxamide
• Synonyms: 1-cyclohexyl-N-(2-hydroxyethyl)-N-methylpiperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 43.78 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 15.574838
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.3143682
• LogD (pH = 7.4): -1.6884575
• Log P: 1.1687657
• Molar Refractivity: 77.1381 cm^3
• Polarizability: 30.253265 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 43.78 Å^2
• Rotatable Bonds: 4
• H Acceptors: 3
• H Donor: 1
• Log P: 2.1
• LOG S: -2.96