N-({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide

• ChemBase ID: 477560
• Molecular Formular: C21H31N5O
• Molecular Mass: 369.50374
• Monoisotopic Mass: 369.25286064
• SMILES: c12n(cc(n1)CNC(=O)C1CN(C3CCN(CC3)C)CCC1)ccc(c2)C
• Canonical SMILES: CN1CCC(CC1)N1CCCC(C1)C(=O)NCc1cn2c(n1)cc(cc2)C
• InChI: InChI=1S/C21H31N5O/c1-16-5-11-26-15-18(23-20(26)12-16)13-22-21(27)17-4-3-8-25(14-17)19-6-9-24(2)10-7-19/h5,11-12,15,17,19H,3-4,6-10,13-14H2,1-2H3,(H,22,27)
• InChIKey: BJQUXPPWUNGRRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
• IUPAC Traditional name: N-({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
• Synonyms: 1'-methyl-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4'-bipiperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.4764805
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -4.616847
• LogD (pH = 7.4): -1.95963
• Log P: 0.96839714
• Molar Refractivity: 109.396 cm^3
• Polarizability: 41.792397 Å^3
• Polar Surface Area: 52.88 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.56
• LOG S: -2.65
• Polar Surface Area: 52.88 Å^2
• Rotatable Bonds: 4