1-{imidazo[1,2-a]pyridine-6-carbonyl}-4-(2-methoxyphenoxy)piperidine

• ChemBase ID: 496649
• Molecular Formular: C20H21N3O3
• Molecular Mass: 351.39904
• Monoisotopic Mass: 351.15829155
• SMILES: c1(C(=O)N2CCC(Oc3c(OC)cccc3)CC2)cn2c(ncc2)cc1
• Canonical SMILES: COc1ccccc1OC1CCN(CC1)C(=O)c1ccc2n(c1)ccn2
• InChI: InChI=1S/C20H21N3O3/c1-25-17-4-2-3-5-18(17)26-16-8-11-22(12-9-16)20(24)15-6-7-19-21-10-13-23(19)14-15/h2-7,10,13-14,16H,8-9,11-12H2,1H3
• InChIKey: FECGPNHHCRZIPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{imidazo[1,2-a]pyridine-6-carbonyl}-4-(2-methoxyphenoxy)piperidine
• IUPAC Traditional name: 1-{imidazo[1,2-a]pyridine-6-carbonyl}-4-(2-methoxyphenoxy)piperidine
• Synonyms: 6-{[4-(2-methoxyphenoxy)piperidin-1-yl]carbonyl}imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.9242995
• LogD (pH = 7.4): 1.5276285
• Log P: 1.5520818
• Molar Refractivity: 99.2556 cm^3
• Polarizability: 37.39561 Å^3
• Polar Surface Area: 56.07 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.63
• LOG S: -3.15
• Polar Surface Area: 56.07 Å^2
• Rotatable Bonds: 4