1-[3-(benzyloxy)piperidin-1-yl]-3-{imidazo[1,2-a]pyridin-2-yl}propan-1-one

• ChemBase ID: 854191
• Molecular Formular: C22H25N3O2
• Molecular Mass: 363.4528
• Monoisotopic Mass: 363.19467706
• SMILES: n12c(nc(c1)CCC(=O)N1CC(OCc3ccccc3)CCC1)cccc2
• Canonical SMILES: O=C(N1CCCC(C1)OCc1ccccc1)CCc1nc2n(c1)cccc2
• InChI: InChI=1S/C22H25N3O2/c26-22(12-11-19-15-24-13-5-4-10-21(24)23-19)25-14-6-9-20(16-25)27-17-18-7-2-1-3-8-18/h1-5,7-8,10,13,15,20H,6,9,11-12,14,16-17H2
• InChIKey: QZNXIJMBBUPBMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(benzyloxy)piperidin-1-yl]-3-{imidazo[1,2-a]pyridin-2-yl}propan-1-one
• IUPAC Traditional name: 1-[3-(benzyloxy)piperidin-1-yl]-3-{imidazo[1,2-a]pyridin-2-yl}propan-1-one
• Synonyms: 2-{3-[3-(benzyloxy)piperidin-1-yl]-3-oxopropyl}imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.759877
• LogD (pH = 7.4): 2.471882
• Log P: 2.499254
• Molar Refractivity: 105.9041 cm^3
• Polarizability: 40.620945 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.24
• LOG S: -4.62
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 6