1-{2-methylimidazo[1,2-a]pyridine-6-carbonyl}-3-(3-methylphenoxymethyl)piperidine

• ChemBase ID: 856775
• Molecular Formular: C22H25N3O2
• Molecular Mass: 363.4528
• Monoisotopic Mass: 363.19467706
• SMILES: c1(C(=O)N2CC(COc3cc(ccc3)C)CCC2)cn2c(nc(c2)C)cc1
• Canonical SMILES: Cc1cccc(c1)OCC1CCCN(C1)C(=O)c1ccc2n(c1)cc(n2)C
• InChI: InChI=1S/C22H25N3O2/c1-16-5-3-7-20(11-16)27-15-18-6-4-10-24(13-18)22(26)19-8-9-21-23-17(2)12-25(21)14-19/h3,5,7-9,11-12,14,18H,4,6,10,13,15H2,1-2H3
• InChIKey: JJGDUBNBSMTOMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2-methylimidazo[1,2-a]pyridine-6-carbonyl}-3-(3-methylphenoxymethyl)piperidine
• IUPAC Traditional name: 1-{2-methylimidazo[1,2-a]pyridine-6-carbonyl}-3-(3-methylphenoxymethyl)piperidine
• Synonyms: 2-methyl-6-({3-[(3-methylphenoxy)methyl]piperidin-1-yl}carbonyl)imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.206036
• LogD (pH = 7.4): 2.8360548
• Log P: 2.856702
• Molar Refractivity: 107.1443 cm^3
• Polarizability: 40.24151 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.07
• LOG S: -4.47
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 4