1-[1-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-4-phenylpiperidin-4-yl]ethan-1-one

• ChemBase ID: 323950
• Molecular Formular: C22H25N3O
• Molecular Mass: 347.4534
• Monoisotopic Mass: 347.19976244
• SMILES: n12c(nc(c1)CN1CCC(CC1)(C(=O)C)c1ccccc1)ccc(c2)C
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)CN1CCC(CC1)(C(=O)C)c1ccccc1
• InChI: InChI=1S/C22H25N3O/c1-17-8-9-21-23-20(16-25(21)14-17)15-24-12-10-22(11-13-24,18(2)26)19-6-4-3-5-7-19/h3-9,14,16H,10-13,15H2,1-2H3
• InChIKey: KUPBRVBNNRNYIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-4-phenylpiperidin-4-yl]ethan-1-one
• IUPAC Traditional name: 1-[1-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-4-phenylpiperidin-4-yl]ethanone
• Synonyms: 1-{1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-phenyl-4-piperidinyl}ethanone

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.609564
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5422771
• LogD (pH = 7.4): 3.0917468
• Log P: 3.3883939
• Molar Refractivity: 105.5271 cm^3
• Polarizability: 40.260345 Å^3
• Polar Surface Area: 37.61 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: 2.81
• LOG S: -3.12
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 4