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

• ChemBase ID: 685448
• Molecular Formular: C16H24N4O3
• Molecular Mass: 320.38676
• Monoisotopic Mass: 320.18484065
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)C1CN(C(=O)COC)CCC1
• Canonical SMILES: COCC(=O)N1CCCC(C1)C(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C16H24N4O3/c1-23-11-15(21)19-7-4-5-12(10-19)16(22)18-14-9-17-13-6-2-3-8-20(13)14/h9,12H,2-8,10-11H2,1H3,(H,18,22)
• InChIKey: NAMZNRAOYHOUEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.706984
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.78411144
• LogD (pH = 7.4): -0.13501225
• Log P: -0.104604326
• Molar Refractivity: 86.2597 cm^3
• Polarizability: 32.627636 Å^3
• Polar Surface Area: 76.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.16
• LOG S: -2.98
• Polar Surface Area: 76.46 Å^2
• Rotatable Bonds: 4