N-{[2-(3-hydroxypiperidin-1-yl)pyridin-3-yl]methyl}-3-methoxypropanamide

• ChemBase ID: 374098
• Molecular Formular: C15H23N3O3
• Molecular Mass: 293.36142
• Monoisotopic Mass: 293.17394161
• SMILES: N1(c2c(CNC(=O)CCOC)cccn2)CC(O)CCC1
• Canonical SMILES: COCCC(=O)NCc1cccnc1N1CCCC(C1)O
• InChI: InChI=1S/C15H23N3O3/c1-21-9-6-14(20)17-10-12-4-2-7-16-15(12)18-8-3-5-13(19)11-18/h2,4,7,13,19H,3,5-6,8-11H2,1H3,(H,17,20)
• InChIKey: SXJHIHMOMPTLBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(3-hydroxypiperidin-1-yl)pyridin-3-yl]methyl}-3-methoxypropanamide
• IUPAC Traditional name: N-{[2-(3-hydroxypiperidin-1-yl)pyridin-3-yl]methyl}-3-methoxypropanamide
• Synonyms: N-{[2-(3-hydroxy-1-piperidinyl)-3-pyridinyl]methyl}-3-methoxypropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.750123
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.43879417
• LogD (pH = 7.4): 0.21802177
• Log P: 0.24104354
• Molar Refractivity: 81.2167 cm^3
• Polarizability: 30.797556 Å^3
• Polar Surface Area: 74.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.08
• LOG S: -2.42
• Polar Surface Area: 74.69 Å^2
• Rotatable Bonds: 5