N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-2-(3-phenylpiperidin-1-yl)acetamide

• ChemBase ID: 693416
• Molecular Formular: C22H26N4O
• Molecular Mass: 362.46804
• Monoisotopic Mass: 362.21066147
• SMILES: n12c(nc(c1)CNC(=O)CN1CC(c3ccccc3)CCC1)ccc(c2)C
• Canonical SMILES: O=C(CN1CCCC(C1)c1ccccc1)NCc1cn2c(n1)ccc(c2)C
• InChI: InChI=1S/C22H26N4O/c1-17-9-10-21-24-20(15-26(21)13-17)12-23-22(27)16-25-11-5-8-19(14-25)18-6-3-2-4-7-18/h2-4,6-7,9-10,13,15,19H,5,8,11-12,14,16H2,1H3,(H,23,27)
• InChIKey: DSTXGCQBPDMIAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-2-(3-phenylpiperidin-1-yl)acetamide
• IUPAC Traditional name: N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-2-(3-phenylpiperidin-1-yl)acetamide
• Synonyms: N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3-phenyl-1-piperidinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.979126
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.11673821
• LogD (pH = 7.4): 2.082579
• Log P: 2.539699
• Molar Refractivity: 108.5102 cm^3
• Polarizability: 41.30896 Å^3
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.36
• LOG S: -4.71
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 5