N-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide

• ChemBase ID: 578888
• Molecular Formular: C21H31N5O
• Molecular Mass: 369.50374
• Monoisotopic Mass: 369.25286064
• SMILES: n12c(nc(c1)CCNC(=O)C1CN(C3CCN(CC3)C)CCC1)cccc2
• Canonical SMILES: CN1CCC(CC1)N1CCCC(C1)C(=O)NCCc1nc2n(c1)cccc2
• InChI: InChI=1S/C21H31N5O/c1-24-13-8-19(9-14-24)25-12-4-5-17(15-25)21(27)22-10-7-18-16-26-11-3-2-6-20(26)23-18/h2-3,6,11,16-17,19H,4-5,7-10,12-15H2,1H3,(H,22,27)
• InChIKey: XMABHQJRAIWUTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.839658
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -5.163106
• LogD (pH = 7.4): -2.2935982
• Log P: 0.6919885
• Molar Refractivity: 109.0542 cm^3
• Polarizability: 41.871548 Å^3
• Polar Surface Area: 52.88 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.01
• LOG S: -2.64
• Polar Surface Area: 52.88 Å^2
• Rotatable Bonds: 5