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

• ChemBase ID: 600486
• Molecular Formular: C20H20ClN3O2
• Molecular Mass: 369.8447
• Monoisotopic Mass: 369.12440458
• SMILES: c1(nc2n(c1)cc(cc2)Cl)C(=O)N1CCC(CC1)OCc1ccccc1
• Canonical SMILES: Clc1ccc2n(c1)cc(n2)C(=O)N1CCC(CC1)OCc1ccccc1
• InChI: InChI=1S/C20H20ClN3O2/c21-16-6-7-19-22-18(13-24(19)12-16)20(25)23-10-8-17(9-11-23)26-14-15-4-2-1-3-5-15/h1-7,12-13,17H,8-11,14H2
• InChIKey: AWEDTFJCPJHZJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(benzyloxy)-1-{6-chloroimidazo[1,2-a]pyridine-2-carbonyl}piperidine
• IUPAC Traditional name: 4-(benzyloxy)-1-{6-chloroimidazo[1,2-a]pyridine-2-carbonyl}piperidine
• Synonyms: 2-{[4-(benzyloxy)-1-piperidinyl]carbonyl}-6-chloroimidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.728875
• LogD (pH = 7.4): 2.7330427
• Log P: 2.7330961
• Molar Refractivity: 102.3291 cm^3
• Polarizability: 38.61489 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: 2.86
• LOG S: -4.34
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 4