5-methyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-phenylpiperidin-2-one

• ChemBase ID: 525617
• Molecular Formular: C17H22N2O3
• Molecular Mass: 302.36818
• Monoisotopic Mass: 302.16304257
• SMILES: N1(C(=O)CCC(C1)(c1ccccc1)C)CCN1C(=O)OCC1
• Canonical SMILES: O=C1CCC(CN1CCN1CCOC1=O)(C)c1ccccc1
• InChI: InChI=1S/C17H22N2O3/c1-17(14-5-3-2-4-6-14)8-7-15(20)19(13-17)10-9-18-11-12-22-16(18)21/h2-6H,7-13H2,1H3
• InChIKey: RZUFGZIZXPYCLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-phenylpiperidin-2-one
• IUPAC Traditional name: 5-methyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-phenylpiperidin-2-one
• Synonyms: 5-methyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-phenylpiperidin-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• Lipinski's Rule of Five: true
• H Donor: 0
• LogD (pH = 5.5): 1.658718
• LogD (pH = 7.4): 1.6587181
• Log P: 1.6587181
• Molar Refractivity: 82.6652 cm^3
• Polarizability: 32.245594 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 4

供应商提供(Chembridge)

• Rotatable Bonds: 4
• H Acceptors: 3
• H Donor: 0
• Log P: 2.01
• LOG S: -3.44
• Polar Surface Area: 49.85 Å^2