N-(furan-3-ylmethyl)-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide

• ChemBase编号: 428879
• 分子式: C14H23N3O2
• 平均质量: 265.35132
• 单一同位素质量: 265.17902699
• SMILES: C(=O)(N(Cc1cocc1)C)CN(C1CCNCC1)C
• Canonical SMILES: CN(C1CCNCC1)CC(=O)N(Cc1ccoc1)C
• InChI: InChI=1S/C14H23N3O2/c1-16(13-3-6-15-7-4-13)10-14(18)17(2)9-12-5-8-19-11-12/h5,8,11,13,15H,3-4,6-7,9-10H2,1-2H3
• InChIKey: VNKYNPDHPLFGFB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(furan-3-ylmethyl)-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide
• IUPAC传统名: N-(furan-3-ylmethyl)-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide
• 别名: N~1~-(3-furylmethyl)-N~1~,N~2~-dimethyl-N~2~-piperidin-4-ylglycinamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -4.536188
• LogD (pH = 7.4): -2.9400132
• Log P: -0.18296088
• 摩尔折射率: 74.9707 cm^3
• 极化性: 29.13868 Å^3
• 极化表面积: 48.72 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: 4
• 质子供体: 1
• Log P: 0.58
• LOG S: -1.63
• 极化表面积: 48.72 Å^2
• 可自由旋转的化学键: 5