2-ethyl-1-{2-phenylimidazo[1,2-a]pyridine-6-carbonyl}piperidine

• ChemBase ID: 754855
• Molecular Formular: C21H23N3O
• Molecular Mass: 333.42682
• Monoisotopic Mass: 333.18411237
• SMILES: c1(C(=O)N2C(CC)CCCC2)cn2c(nc(c2)c2ccccc2)cc1
• Canonical SMILES: CCC1CCCCN1C(=O)c1ccc2n(c1)cc(n2)c1ccccc1
• InChI: InChI=1S/C21H23N3O/c1-2-18-10-6-7-13-24(18)21(25)17-11-12-20-22-19(15-23(20)14-17)16-8-4-3-5-9-16/h3-5,8-9,11-12,14-15,18H,2,6-7,10,13H2,1H3
• InChIKey: FGILLRMXJFZEKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-1-{2-phenylimidazo[1,2-a]pyridine-6-carbonyl}piperidine
• IUPAC Traditional name: 2-ethyl-1-{2-phenylimidazo[1,2-a]pyridine-6-carbonyl}piperidine
• Synonyms: 6-[(2-ethylpiperidin-1-yl)carbonyl]-2-phenylimidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.6925108
• LogD (pH = 7.4): 3.8770905
• Log P: 3.8800812
• Molar Refractivity: 100.6572 cm^3
• Polarizability: 39.26875 Å^3
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.46
• LOG S: -4.59
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 3