3-[3-(2-fluorophenoxy)azetidine-1-carbonyl]-1-(furan-2-ylmethyl)piperidine

• ChemBase ID: 734171
• Molecular Formular: C20H23FN2O3
• Molecular Mass: 358.4066232
• Monoisotopic Mass: 358.16927083
• SMILES: N1(C(=O)C2CN(Cc3occc3)CCC2)CC(C1)Oc1c(F)cccc1
• Canonical SMILES: O=C(C1CCCN(C1)Cc1ccco1)N1CC(C1)Oc1ccccc1F
• InChI: InChI=1S/C20H23FN2O3/c21-18-7-1-2-8-19(18)26-17-13-23(14-17)20(24)15-5-3-9-22(11-15)12-16-6-4-10-25-16/h1-2,4,6-8,10,15,17H,3,5,9,11-14H2
• InChIKey: CITDKOUCGVEZSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[3-(2-fluorophenoxy)azetidine-1-carbonyl]-1-(furan-2-ylmethyl)piperidine
• IUPAC Traditional name: 3-[3-(2-fluorophenoxy)azetidine-1-carbonyl]-1-(furan-2-ylmethyl)piperidine
• Synonyms: 3-{[3-(2-fluorophenoxy)-1-azetidinyl]carbonyl}-1-(2-furylmethyl)piperidine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 2.3
• LOG S: -3.78
• Polar Surface Area: 45.92 Å^2
• Rotatable Bonds: 5
• H Acceptors: 4
• H Donor: 0

JChem

• Molar Refractivity: 95.3049 cm^3
• Polarizability: 36.84113 Å^3
• Polar Surface Area: 45.92 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.442095
• LogD (pH = 7.4): 1.2867563
• Log P: 2.5193105