1-[2-(3-fluorophenyl)ethyl]-5-(morpholine-4-carbonyl)piperidin-2-one

• ChemBase ID: 574984
• Molecular Formular: C18H23FN2O3
• Molecular Mass: 334.3852232
• Monoisotopic Mass: 334.16927083
• SMILES: N1(C(=O)CCC(C(=O)N2CCOCC2)C1)CCc1cc(F)ccc1
• Canonical SMILES: Fc1cccc(c1)CCN1CC(CCC1=O)C(=O)N1CCOCC1
• InChI: InChI=1S/C18H23FN2O3/c19-16-3-1-2-14(12-16)6-7-21-13-15(4-5-17(21)22)18(23)20-8-10-24-11-9-20/h1-3,12,15H,4-11,13H2
• InChIKey: GNMASRFEPOSAMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(3-fluorophenyl)ethyl]-5-(morpholine-4-carbonyl)piperidin-2-one
• IUPAC Traditional name: 1-[2-(3-fluorophenyl)ethyl]-5-(morpholine-4-carbonyl)piperidin-2-one
• Synonyms: 1-[2-(3-fluorophenyl)ethyl]-5-(4-morpholinylcarbonyl)-2-piperidinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.0450324
• LogD (pH = 7.4): 1.0450327
• Log P: 1.0450327
• Molar Refractivity: 88.1156 cm^3
• Polarizability: 33.78926 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.75
• LOG S: -1.16
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 4