N-(2-cycloheptylethyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide

• ChemBase ID: 494895
• Molecular Formular: C18H32N2O3
• Molecular Mass: 324.45828
• Monoisotopic Mass: 324.24129289
• SMILES: N1(C(=O)CCC(C(=O)NCCC2CCCCCC2)C1)CCOC
• Canonical SMILES: COCCN1CC(CCC1=O)C(=O)NCCC1CCCCCC1
• InChI: InChI=1S/C18H32N2O3/c1-23-13-12-20-14-16(8-9-17(20)21)18(22)19-11-10-15-6-4-2-3-5-7-15/h15-16H,2-14H2,1H3,(H,19,22)
• InChIKey: CQOKMAKQWVBOKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-cycloheptylethyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
• IUPAC Traditional name: N-(2-cycloheptylethyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
• Synonyms: N-(2-cycloheptylethyl)-1-(2-methoxyethyl)-6-oxo-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.9825115
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7625121
• LogD (pH = 7.4): 1.7625122
• Log P: 1.7625122
• Molar Refractivity: 90.6279 cm^3
• Polarizability: 35.542763 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.97
• LOG S: -2.71
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 6