N-cyclopropyl-3-(3,3-diphenylpiperidin-1-yl)propanamide

• ChemBase编号: 347023
• 分子式: C23H28N2O
• 平均质量: 348.48122
• 单一同位素质量: 348.22016353
• SMILES: C1(CN(CCC(=O)NC2CC2)CCC1)(c1ccccc1)c1ccccc1
• Canonical SMILES: O=C(NC1CC1)CCN1CCCC(C1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C23H28N2O/c26-22(24-21-12-13-21)14-17-25-16-7-15-23(18-25,19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,21H,7,12-18H2,(H,24,26)
• InChIKey: GCGYSLQZNRNCGV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclopropyl-3-(3,3-diphenylpiperidin-1-yl)propanamide
• IUPAC传统名: N-cyclopropyl-3-(3,3-diphenylpiperidin-1-yl)propanamide
• 别名: N-cyclopropyl-3-(3,3-diphenylpiperidin-1-yl)propanamide

理论计算性质

JChem

• Acid pKa: 15.87358
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 0.2545772
• LogD (pH = 7.4): 1.511924
• Log P: 3.6484113
• 摩尔折射率: 116.3983 cm^3
• 极化性: 41.414906 Å^3
• 极化表面积: 32.34 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: 3.61
• LOG S: -5.11
• 极化表面积: 32.34 Å^2
• 可自由旋转的化学键: 6