3-(4-fluorophenoxymethyl)-1-{imidazo[1,2-a]pyridine-3-carbonyl}piperidine

• ChemBase ID: 758742
• Molecular Formular: C20H20FN3O2
• Molecular Mass: 353.3901032
• Monoisotopic Mass: 353.15395512
• SMILES: c1(n2c(nc1)cccc2)C(=O)N1CC(COc2ccc(F)cc2)CCC1
• Canonical SMILES: Fc1ccc(cc1)OCC1CCCN(C1)C(=O)c1cnc2n1cccc2
• InChI: InChI=1S/C20H20FN3O2/c21-16-6-8-17(9-7-16)26-14-15-4-3-10-23(13-15)20(25)18-12-22-19-5-1-2-11-24(18)19/h1-2,5-9,11-12,15H,3-4,10,13-14H2
• InChIKey: OEPTUGVJCAKEHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-fluorophenoxymethyl)-1-{imidazo[1,2-a]pyridine-3-carbonyl}piperidine
• IUPAC Traditional name: 3-(4-fluorophenoxymethyl)-1-{imidazo[1,2-a]pyridine-3-carbonyl}piperidine
• Synonyms: 3-({3-[(4-fluorophenoxy)methyl]-1-piperidinyl}carbonyl)imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.192787
• LogD (pH = 7.4): 2.2734597
• Log P: 2.2746136
• Molar Refractivity: 97.6055 cm^3
• Polarizability: 36.393074 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.91
• LOG S: -4.26
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 4