N-cyclopropyl-3-[1-(1-phenylcyclohexanecarbonyl)piperidin-4-yl]propanamide

• ChemBase编号: 367410
• 分子式: C24H34N2O2
• 平均质量: 382.53896
• 单一同位素质量: 382.26202834
• SMILES: C(=O)(C1(c2ccccc2)CCCCC1)N1CCC(CC1)CCC(=O)NC1CC1
• Canonical SMILES: O=C(NC1CC1)CCC1CCN(CC1)C(=O)C1(CCCCC1)c1ccccc1
• InChI: InChI=1S/C24H34N2O2/c27-22(25-21-10-11-21)12-9-19-13-17-26(18-14-19)23(28)24(15-5-2-6-16-24)20-7-3-1-4-8-20/h1,3-4,7-8,19,21H,2,5-6,9-18H2,(H,25,27)
• InChIKey: NCTNAZOIJONVKV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclopropyl-3-[1-(1-phenylcyclohexanecarbonyl)piperidin-4-yl]propanamide
• IUPAC传统名: N-cyclopropyl-3-[1-(1-phenylcyclohexanecarbonyl)piperidin-4-yl]propanamide
• 别名: N-cyclopropyl-3-{1-[(1-phenylcyclohexyl)carbonyl]-4-piperidinyl}propanamide

理论计算性质

JChem

• Acid pKa: 15.499967
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 3.808962
• LogD (pH = 7.4): 3.808963
• Log P: 3.808963
• 摩尔折射率: 111.5456 cm^3
• 极化性: 43.70653 Å^3
• 极化表面积: 49.41 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 2
• 质子供体: 1
• Log P: 4.84
• LOG S: -5.03
• 极化表面积: 49.41 Å^2
• 可自由旋转的化学键: 6