N-(2-methoxyethyl)-N-methyl-5-[4-(morpholin-4-yl)piperidine-1-carbonyl]pyridin-2-amine

• ChemBase编号: 487341
• 分子式: C19H30N4O3
• 平均质量: 362.4665
• 单一同位素质量: 362.23179084
• SMILES: C(=O)(N1CCC(N2CCOCC2)CC1)c1cnc(N(CCOC)C)cc1
• Canonical SMILES: COCCN(c1ccc(cn1)C(=O)N1CCC(CC1)N1CCOCC1)C
• InChI: InChI=1S/C19H30N4O3/c1-21(9-12-25-2)18-4-3-16(15-20-18)19(24)23-7-5-17(6-8-23)22-10-13-26-14-11-22/h3-4,15,17H,5-14H2,1-2H3
• InChIKey: QFGHRUNQGLNZOC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2-methoxyethyl)-N-methyl-5-[4-(morpholin-4-yl)piperidine-1-carbonyl]pyridin-2-amine
• IUPAC传统名: N-(2-methoxyethyl)-N-methyl-5-[4-(morpholin-4-yl)piperidine-1-carbonyl]pyridin-2-amine
• 别名: N-(2-methoxyethyl)-N-methyl-5-[(4-morpholin-4-ylpiperidin-1-yl)carbonyl]pyridin-2-amine

理论计算性质

JChem

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): -1.4586641
• LogD (pH = 7.4): 0.21445943
• Log P: 0.51739734
• 摩尔折射率: 103.0841 cm^3
• 极化性: 38.812714 Å^3
• 极化表面积: 58.14 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 0.12
• LOG S: -3.25
• 极化表面积: 58.14 Å^2
• 可自由旋转的化学键: 6