2-cyclopentyl-N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(pyridin-3-ylmethyl)acetamide

• ChemBase编号: 448699
• 分子式: C24H37N3O
• 平均质量: 383.57008
• 单一同位素质量: 383.29366282
• SMILES: C(=O)(N(Cc1cnccc1)CC1CCN(CC1)C1CCCC1)CC1CCCC1
• Canonical SMILES: O=C(N(Cc1cccnc1)CC1CCN(CC1)C1CCCC1)CC1CCCC1
• InChI: InChI=1S/C24H37N3O/c28-24(16-20-6-1-2-7-20)27(19-22-8-5-13-25-17-22)18-21-11-14-26(15-12-21)23-9-3-4-10-23/h5,8,13,17,20-21,23H,1-4,6-7,9-12,14-16,18-19H2
• InChIKey: UAJQGYYGKNEMFF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-cyclopentyl-N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(pyridin-3-ylmethyl)acetamide
• IUPAC传统名: 2-cyclopentyl-N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(pyridin-3-ylmethyl)acetamide
• 别名: 2-cyclopentyl-N-[(1-cyclopentyl-4-piperidinyl)methyl]-N-(3-pyridinylmethyl)acetamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.09666981
• LogD (pH = 7.4): 1.1219198
• Log P: 3.6235082
• 摩尔折射率: 114.5736 cm^3
• 极化性: 44.97788 Å^3
• 极化表面积: 36.44 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 3.45
• LOG S: -3.93
• 极化表面积: 36.44 Å^2
• 可自由旋转的化学键: 7