3-{1-[2-(dimethylamino)-2-(2-fluorophenyl)acetyl]piperidin-4-yl}-1,3-oxazolidin-2-one

• ChemBase ID: 696004
• Molecular Formular: C18H24FN3O3
• Molecular Mass: 349.3998632
• Monoisotopic Mass: 349.18016986
• SMILES: C(=O)(C(c1c(F)cccc1)N(C)C)N1CCC(N2C(=O)OCC2)CC1
• Canonical SMILES: CN(C(c1ccccc1F)C(=O)N1CCC(CC1)N1CCOC1=O)C
• InChI: InChI=1S/C18H24FN3O3/c1-20(2)16(14-5-3-4-6-15(14)19)17(23)21-9-7-13(8-10-21)22-11-12-25-18(22)24/h3-6,13,16H,7-12H2,1-2H3
• InChIKey: GBNQASHNAAYZSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{1-[2-(dimethylamino)-2-(2-fluorophenyl)acetyl]piperidin-4-yl}-1,3-oxazolidin-2-one
• IUPAC Traditional name: 3-{1-[2-(dimethylamino)-2-(2-fluorophenyl)acetyl]piperidin-4-yl}-1,3-oxazolidin-2-one
• Synonyms: 3-{1-[(dimethylamino)(2-fluorophenyl)acetyl]-4-piperidinyl}-1,3-oxazolidin-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.21677628
• LogD (pH = 7.4): 1.0551685
• Log P: 1.0891603
• Molar Refractivity: 91.6395 cm^3
• Polarizability: 35.314957 Å^3
• Polar Surface Area: 53.09 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: 1.7
• LOG S: -3.2
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 4