1-[(3-fluorophenyl)methyl]-5-(1,2-oxazolidine-2-carbonyl)piperidin-2-one

• ChemBase ID: 482278
• Molecular Formular: C16H19FN2O3
• Molecular Mass: 306.3320632
• Monoisotopic Mass: 306.1379707
• SMILES: N1(C(=O)CCC(C(=O)N2OCCC2)C1)Cc1cc(F)ccc1
• Canonical SMILES: Fc1cccc(c1)CN1CC(CCC1=O)C(=O)N1CCCO1
• InChI: InChI=1S/C16H19FN2O3/c17-14-4-1-3-12(9-14)10-18-11-13(5-6-15(18)20)16(21)19-7-2-8-22-19/h1,3-4,9,13H,2,5-8,10-11H2
• InChIKey: HSEBPJDBDRLNBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(3-fluorophenyl)methyl]-5-(1,2-oxazolidine-2-carbonyl)piperidin-2-one
• IUPAC Traditional name: 1-[(3-fluorophenyl)methyl]-5-(1,2-oxazolidine-2-carbonyl)piperidin-2-one
• Synonyms: 1-(3-fluorobenzyl)-5-(2-isoxazolidinylcarbonyl)-2-piperidinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.0144097
• LogD (pH = 7.4): 1.0144097
• Log P: 1.0144097
• Molar Refractivity: 78.5327 cm^3
• Polarizability: 30.12851 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.62
• LOG S: -2.3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 3