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

• ChemBase ID: 487621
• Molecular Formular: C20H21N3O
• Molecular Mass: 319.40024
• Monoisotopic Mass: 319.16846231
• SMILES: c1(n2c(nc1)cccc2)C(=O)N1CC(c2c(C)cccc2)CCC1
• Canonical SMILES: Cc1ccccc1C1CCCN(C1)C(=O)c1cnc2n1cccc2
• InChI: InChI=1S/C20H21N3O/c1-15-7-2-3-9-17(15)16-8-6-11-22(14-16)20(24)18-13-21-19-10-4-5-12-23(18)19/h2-5,7,9-10,12-13,16H,6,8,11,14H2,1H3
• InChIKey: CSUNCSJHHLUIPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7583065
• LogD (pH = 7.4): 2.838954
• Log P: 2.8401072
• Molar Refractivity: 96.4355 cm^3
• Polarizability: 35.965076 Å^3
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.28
• LOG S: -4.33
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 2