1-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-2-{imidazo[1,2-a]pyridin-3-yl}ethan-1-one

• ChemBase ID: 471415
• Molecular Formular: C23H27N3O2
• Molecular Mass: 377.47938
• Monoisotopic Mass: 377.21032712
• SMILES: n12c(CC(=O)N3CCC(CC3)C(CCc3ccccc3)O)cnc1cccc2
• Canonical SMILES: OC(C1CCN(CC1)C(=O)Cc1cnc2n1cccc2)CCc1ccccc1
• InChI: InChI=1S/C23H27N3O2/c27-21(10-9-18-6-2-1-3-7-18)19-11-14-25(15-12-19)23(28)16-20-17-24-22-8-4-5-13-26(20)22/h1-8,13,17,19,21,27H,9-12,14-16H2
• InChIKey: NUEMDFAMUILHLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-2-{imidazo[1,2-a]pyridin-3-yl}ethan-1-one
• IUPAC Traditional name: 1-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-2-{imidazo[1,2-a]pyridin-3-yl}ethanone
• Synonyms: 1-[1-(imidazo[1,2-a]pyridin-3-ylacetyl)-4-piperidinyl]-3-phenyl-1-propanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.935225
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5767729
• LogD (pH = 7.4): 2.2237477
• Log P: 2.2538388
• Molar Refractivity: 110.9182 cm^3
• Polarizability: 42.31709 Å^3
• Polar Surface Area: 57.84 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: 2.81
• LOG S: -4.35
• Polar Surface Area: 57.84 Å^2
• Rotatable Bonds: 6