1-benzyl-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}piperidine-2-carboxamide

• ChemBase ID: 708983
• Molecular Formular: C20H26N4O
• Molecular Mass: 338.44664
• Monoisotopic Mass: 338.21066147
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)C1N(Cc2ccccc2)CCCC1
• Canonical SMILES: O=C(C1CCCCN1Cc1ccccc1)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C20H26N4O/c25-20(22-19-14-21-18-11-5-7-13-24(18)19)17-10-4-6-12-23(17)15-16-8-2-1-3-9-16/h1-3,8-9,14,17H,4-7,10-13,15H2,(H,22,25)
• InChIKey: CCRXXYYTQMZQFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}piperidine-2-carboxamide
• IUPAC Traditional name: 1-benzyl-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}piperidine-2-carboxamide
• Synonyms: 1-benzyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.344902
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.41078234
• LogD (pH = 7.4): 2.5797808
• Log P: 2.8783836
• Molar Refractivity: 99.8917 cm^3
• Polarizability: 38.10147 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.84
• LOG S: -3.24
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 4