N-(furan-3-ylmethyl)-N-methyl-2-(4-phenylpiperidin-1-yl)acetamide

• ChemBase编号: 756336
• 分子式: C19H24N2O2
• 平均质量: 312.40606
• 单一同位素质量: 312.18377802
• SMILES: C(=O)(N(Cc1cocc1)C)CN1CCC(CC1)c1ccccc1
• Canonical SMILES: O=C(N(Cc1cocc1)C)CN1CCC(CC1)c1ccccc1
• InChI: InChI=1S/C19H24N2O2/c1-20(13-16-9-12-23-15-16)19(22)14-21-10-7-18(8-11-21)17-5-3-2-4-6-17/h2-6,9,12,15,18H,7-8,10-11,13-14H2,1H3
• InChIKey: MITXHSGCTXBDSW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(furan-3-ylmethyl)-N-methyl-2-(4-phenylpiperidin-1-yl)acetamide
• IUPAC传统名: N-(furan-3-ylmethyl)-N-methyl-2-(4-phenylpiperidin-1-yl)acetamide
• 别名: N-(3-furylmethyl)-N-methyl-2-(4-phenyl-1-piperidinyl)acetamide

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 0.31624153
• LogD (pH = 7.4): 2.0049074
• Log P: 2.4444702
• 摩尔折射率: 91.5999 cm^3
• 极化性: 35.286846 Å^3
• 极化表面积: 36.69 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: 0
• Log P: 2.25
• LOG S: -3.4
• 极化表面积: 36.69 Å^2
• 可自由旋转的化学键: 5