N-{[1-({3-methylimidazo[1,5-a]pyridin-1-yl}methyl)piperidin-3-yl]methyl}butanamide

• ChemBase ID: 366597
• Molecular Formular: C19H28N4O
• Molecular Mass: 328.45182
• Monoisotopic Mass: 328.22631154
• SMILES: c1(nc(n2c1cccc2)C)CN1CC(CNC(=O)CCC)CCC1
• Canonical SMILES: CCCC(=O)NCC1CCCN(C1)Cc1nc(n2c1cccc2)C
• InChI: InChI=1S/C19H28N4O/c1-3-7-19(24)20-12-16-8-6-10-22(13-16)14-17-18-9-4-5-11-23(18)15(2)21-17/h4-5,9,11,16H,3,6-8,10,12-14H2,1-2H3,(H,20,24)
• InChIKey: VLASARCPVPXRNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[1-({3-methylimidazo[1,5-a]pyridin-1-yl}methyl)piperidin-3-yl]methyl}butanamide
• IUPAC Traditional name: N-{[1-({3-methylimidazo[1,5-a]pyridin-1-yl}methyl)piperidin-3-yl]methyl}butanamide
• Synonyms: N-({1-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]piperidin-3-yl}methyl)butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.853985
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.87972695
• LogD (pH = 7.4): 0.48083225
• Log P: 1.2346255
• Molar Refractivity: 97.5706 cm^3
• Polarizability: 37.98909 Å^3
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.4
• LOG S: -2.79
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 6