N-cyclohexyl-1-cyclopropyl-6-oxopiperidine-3-carboxamide

• ChemBase编号: 507115
• 分子式: C15H24N2O2
• 平均质量: 264.36326
• 单一同位素质量: 264.18377802
• SMILES: N1(CC(C(=O)NC2CCCCC2)CCC1=O)C1CC1
• Canonical SMILES: O=C(C1CCC(=O)N(C1)C1CC1)NC1CCCCC1
• InChI: InChI=1S/C15H24N2O2/c18-14-9-6-11(10-17(14)13-7-8-13)15(19)16-12-4-2-1-3-5-12/h11-13H,1-10H2,(H,16,19)
• InChIKey: OANOQFGJUZUJEI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclohexyl-1-cyclopropyl-6-oxopiperidine-3-carboxamide
• IUPAC传统名: N-cyclohexyl-1-cyclopropyl-6-oxopiperidine-3-carboxamide
• 别名: N-cyclohexyl-1-cyclopropyl-6-oxo-3-piperidinecarboxamide

理论计算性质

JChem

• Acid pKa: 15.767347
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 1.1488554
• LogD (pH = 7.4): 1.1488559
• Log P: 1.1488559
• 摩尔折射率: 72.7858 cm^3
• 极化性: 28.597538 Å^3
• 极化表面积: 49.41 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 2
• 质子供体: 1
• Log P: 1.34
• LOG S: -2.23
• 极化表面积: 49.41 Å^2
• 可自由旋转的化学键: 3