N-cyclopropyl-2-{4-[2-(naphthalen-1-yl)-1H-imidazol-1-yl]piperidin-1-yl}acetamide

• ChemBase编号: 639465
• 分子式: C23H26N4O
• 平均质量: 374.47874
• 单一同位素质量: 374.21066147
• SMILES: c1(n(C2CCN(CC(=O)NC3CC3)CC2)ccn1)c1c2c(ccc1)cccc2
• Canonical SMILES: O=C(NC1CC1)CN1CCC(CC1)n1ccnc1c1cccc2c1cccc2
• InChI: InChI=1S/C23H26N4O/c28-22(25-18-8-9-18)16-26-13-10-19(11-14-26)27-15-12-24-23(27)21-7-3-5-17-4-1-2-6-20(17)21/h1-7,12,15,18-19H,8-11,13-14,16H2,(H,25,28)
• InChIKey: TUNRNZCISLXOSC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclopropyl-2-{4-[2-(naphthalen-1-yl)-1H-imidazol-1-yl]piperidin-1-yl}acetamide
• IUPAC传统名: N-cyclopropyl-2-{4-[2-(naphthalen-1-yl)imidazol-1-yl]piperidin-1-yl}acetamide
• 别名: N-cyclopropyl-2-{4-[2-(1-naphthyl)-1H-imidazol-1-yl]piperidin-1-yl}acetamide

理论计算性质

JChem

• Acid pKa: 15.552994
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -0.21421072
• LogD (pH = 7.4): 1.8928078
• Log P: 2.4797864
• 摩尔折射率: 120.9271 cm^3
• 极化性: 44.583256 Å^3
• 极化表面积: 50.16 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 1
• Log P: 3.08
• LOG S: -4.56
• 极化表面积: 50.16 Å^2
• 可自由旋转的化学键: 5