2-(1-ethylpiperidin-4-yl)-N-[1-(4-methylpyridin-2-yl)propyl]acetamide

• ChemBase ID: 529392
• Molecular Formular: C18H29N3O
• Molecular Mass: 303.44236
• Monoisotopic Mass: 303.23106256
• SMILES: C(=O)(NC(c1nccc(c1)C)CC)CC1CCN(CC1)CC
• Canonical SMILES: CCC(c1nccc(c1)C)NC(=O)CC1CCN(CC1)CC
• InChI: InChI=1S/C18H29N3O/c1-4-16(17-12-14(3)6-9-19-17)20-18(22)13-15-7-10-21(5-2)11-8-15/h6,9,12,15-16H,4-5,7-8,10-11,13H2,1-3H3,(H,20,22)
• InChIKey: MOQDIWYGJBWARX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-ethylpiperidin-4-yl)-N-[1-(4-methylpyridin-2-yl)propyl]acetamide
• IUPAC Traditional name: 2-(1-ethylpiperidin-4-yl)-N-[1-(4-methylpyridin-2-yl)propyl]acetamide
• Synonyms: 2-(1-ethylpiperidin-4-yl)-N-[1-(4-methylpyridin-2-yl)propyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.021265
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.88317084
• LogD (pH = 7.4): 0.7631821
• Log P: 2.4184036
• Molar Refractivity: 90.4052 cm^3
• Polarizability: 35.30026 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.83
• LOG S: -1.67
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 6