1-{2-[3-(4-fluorophenoxy)piperidin-1-yl]-2-oxoethyl}piperidine-2,6-dione

• ChemBase ID: 822439
• Molecular Formular: C18H21FN2O4
• Molecular Mass: 348.3687432
• Monoisotopic Mass: 348.14853538
• SMILES: N1(CC(=O)N2CC(Oc3ccc(F)cc3)CCC2)C(=O)CCCC1=O
• Canonical SMILES: Fc1ccc(cc1)OC1CCCN(C1)C(=O)CN1C(=O)CCCC1=O
• InChI: InChI=1S/C18H21FN2O4/c19-13-6-8-14(9-7-13)25-15-3-2-10-20(11-15)18(24)12-21-16(22)4-1-5-17(21)23/h6-9,15H,1-5,10-12H2
• InChIKey: KLDFLJVAYZDLSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2-[3-(4-fluorophenoxy)piperidin-1-yl]-2-oxoethyl}piperidine-2,6-dione
• IUPAC Traditional name: 1-{2-[3-(4-fluorophenoxy)piperidin-1-yl]-2-oxoethyl}piperidine-2,6-dione
• Synonyms: 1-{2-[3-(4-fluorophenoxy)-1-piperidinyl]-2-oxoethyl}-2,6-piperidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.157185
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.045482
• LogD (pH = 7.4): 1.045482
• Log P: 1.045482
• Molar Refractivity: 87.4591 cm^3
• Polarizability: 33.902313 Å^3
• Polar Surface Area: 66.92 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: 2.42
• LOG S: -3.81
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 4