N-benzyl-1-{imidazo[1,2-a]pyridine-2-carbonyl}-N-methylpiperidin-3-amine

• ChemBase ID: 436542
• Molecular Formular: C21H24N4O
• Molecular Mass: 348.44146
• Monoisotopic Mass: 348.19501141
• SMILES: c1(nc2n(c1)cccc2)C(=O)N1CC(N(Cc2ccccc2)C)CCC1
• Canonical SMILES: CN(C1CCCN(C1)C(=O)c1nc2n(c1)cccc2)Cc1ccccc1
• InChI: InChI=1S/C21H24N4O/c1-23(14-17-8-3-2-4-9-17)18-10-7-13-25(15-18)21(26)19-16-24-12-6-5-11-20(24)22-19/h2-6,8-9,11-12,16,18H,7,10,13-15H2,1H3
• InChIKey: UCIHOMSHOFLLJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-1-{imidazo[1,2-a]pyridine-2-carbonyl}-N-methylpiperidin-3-amine
• IUPAC Traditional name: N-benzyl-1-{imidazo[1,2-a]pyridine-2-carbonyl}-N-methylpiperidin-3-amine
• Synonyms: N-benzyl-1-(imidazo[1,2-a]pyridin-2-ylcarbonyl)-N-methyl-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.40675947
• LogD (pH = 7.4): 1.2899761
• Log P: 2.6520743
• Molar Refractivity: 104.2791 cm^3
• Polarizability: 39.412663 Å^3
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.96
• LOG S: -3.2
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 4