N-(2-methoxyethyl)-N-(naphthalen-1-ylmethyl)-2-(piperidin-4-yl)acetamide

• ChemBase编号: 612178
• 分子式: C21H28N2O2
• 平均质量: 340.45922
• 单一同位素质量: 340.21507815
• SMILES: C(=O)(N(Cc1c2c(ccc1)cccc2)CCOC)CC1CCNCC1
• Canonical SMILES: COCCN(C(=O)CC1CCNCC1)Cc1cccc2c1cccc2
• InChI: InChI=1S/C21H28N2O2/c1-25-14-13-23(21(24)15-17-9-11-22-12-10-17)16-19-7-4-6-18-5-2-3-8-20(18)19/h2-8,17,22H,9-16H2,1H3
• InChIKey: FWTLHKSLYVHKHW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2-methoxyethyl)-N-(naphthalen-1-ylmethyl)-2-(piperidin-4-yl)acetamide
• IUPAC传统名: N-(2-methoxyethyl)-N-(naphthalen-1-ylmethyl)-2-(piperidin-4-yl)acetamide
• 别名: N-(2-methoxyethyl)-N-(1-naphthylmethyl)-2-piperidin-4-ylacetamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -0.84517777
• LogD (pH = 7.4): -0.17959638
• Log P: 2.3762176
• 摩尔折射率: 101.3723 cm^3
• 极化性: 40.828625 Å^3
• 极化表面积: 41.57 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: 1
• Log P: 3.05
• LOG S: -4.29
• 极化表面积: 41.57 Å^2
• 可自由旋转的化学键: 7