N-[1-(piperidin-1-yl)propan-2-yl]-N-(pyridin-2-yl)(2H5)propanamide; methane

• ChemBase编号: 176175
• 分子式: C17H29N3O
• 平均质量: 291.43166
• 单一同位素质量: 291.23106256
• SMILES: C1CCCN(C1)CC(N(c1ncccc1)C(=O)CC)C.C
• Canonical SMILES: CCC(=O)N(c1ccccn1)C(CN1CCCCC1)C.C
• InChI: InChI=1S/C16H25N3O.CH4/c1-3-16(20)19(15-9-5-6-10-17-15)14(2)13-18-11-7-4-8-12-18;/h5-6,9-10,14H,3-4,7-8,11-13H2,1-2H3;1H4
• InChIKey: NTSNORNXSICXDN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[1-(piperidin-1-yl)propan-2-yl]-N-(pyridin-2-yl)(^2H₅)propanamide; methane
• IUPAC传统名: N-[1-(piperidin-1-yl)propan-2-yl]-N-(pyridin-2-yl)(^2H₅)propanamide; methane
• 别名: N-[1-Methyl-2-(1-piperidinyl)ethyl]-N-2-pyridinylpropanamide-d5 Dihydrochloride; Propiram-d5 Dihydrochloride

登记号

• PubChem SID: 164232085
• PubChem CID: 71751435

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -0.20659128
• LogD (pH = 7.4): 1.5675539
• Log P: 2.437929
• 摩尔折射率: 81.4003 cm^3
• 极化性: 31.686026 Å^3
• 极化表面积: 36.44 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - P287902

A labelled analgesic that acts as a partial μ opioid receptor agonist and a weak μ antagonist.

参考文献

• Wollweber, H. et al.: Eur. J. Med. Chem., 17, 125 (1982)
• Jasinski, D.R. et al.: Clin. Pharmacol. Therap., 12, 613 (1982)