3-{imidazo[1,2-a]pyridin-2-yl}-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide

• ChemBase ID: 773353
• Molecular Formular: C23H28N4O
• Molecular Mass: 376.49462
• Monoisotopic Mass: 376.22631154
• SMILES: n12c(nc(c1)CCC(=O)NC1CN(CCc3ccccc3)CCC1)cccc2
• Canonical SMILES: O=C(NC1CCCN(C1)CCc1ccccc1)CCc1nc2n(c1)cccc2
• InChI: InChI=1S/C23H28N4O/c28-23(12-11-21-18-27-15-5-4-10-22(27)24-21)25-20-9-6-14-26(17-20)16-13-19-7-2-1-3-8-19/h1-5,7-8,10,15,18,20H,6,9,11-14,16-17H2,(H,25,28)
• InChIKey: HIJOCHLWBVIFJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{imidazo[1,2-a]pyridin-2-yl}-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
• IUPAC Traditional name: 3-{imidazo[1,2-a]pyridin-2-yl}-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
• Synonyms: 3-imidazo[1,2-a]pyridin-2-yl-N-[1-(2-phenylethyl)-3-piperidinyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.746874
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.96087486
• LogD (pH = 7.4): 1.5070555
• Log P: 2.6298592
• Molar Refractivity: 112.738 cm^3
• Polarizability: 43.23602 Å^3
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.01
• LOG S: -4.59
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 7