1-{3-[benzyl(methyl)amino]piperidin-1-yl}-3-{imidazo[1,2-a]pyridin-2-yl}propan-1-one

• ChemBase ID: 402055
• Molecular Formular: C23H28N4O
• Molecular Mass: 376.49462
• Monoisotopic Mass: 376.22631154
• SMILES: n12c(nc(c1)CCC(=O)N1CC(N(Cc3ccccc3)C)CCC1)cccc2
• Canonical SMILES: CN(C1CCCN(C1)C(=O)CCc1nc2n(c1)cccc2)Cc1ccccc1
• InChI: InChI=1S/C23H28N4O/c1-25(16-19-8-3-2-4-9-19)21-10-7-15-27(18-21)23(28)13-12-20-17-26-14-6-5-11-22(26)24-20/h2-6,8-9,11,14,17,21H,7,10,12-13,15-16,18H2,1H3
• InChIKey: UCXBEGJWGFDOKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{3-[benzyl(methyl)amino]piperidin-1-yl}-3-{imidazo[1,2-a]pyridin-2-yl}propan-1-one
• IUPAC Traditional name: 1-{3-[benzyl(methyl)amino]piperidin-1-yl}-3-{imidazo[1,2-a]pyridin-2-yl}propan-1-one
• Synonyms: N-benzyl-1-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-N-methyl-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.229192
• LogD (pH = 7.4): 1.1749564
• Log P: 2.564874
• Molar Refractivity: 112.8797 cm^3
• Polarizability: 43.311726 Å^3
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.85
• LOG S: -3.23
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 6