2-(3-{3-[(2-fluorophenyl)methoxy]azetidine-1-carbonyl}piperidin-1-yl)acetamide

• ChemBase ID: 827570
• Molecular Formular: C18H24FN3O3
• Molecular Mass: 349.3998632
• Monoisotopic Mass: 349.18016986
• SMILES: N1(C(=O)C2CN(CC(=O)N)CCC2)CC(C1)OCc1c(F)cccc1
• Canonical SMILES: NC(=O)CN1CCCC(C1)C(=O)N1CC(C1)OCc1ccccc1F
• InChI: InChI=1S/C18H24FN3O3/c19-16-6-2-1-4-14(16)12-25-15-9-22(10-15)18(24)13-5-3-7-21(8-13)11-17(20)23/h1-2,4,6,13,15H,3,5,7-12H2,(H2,20,23)
• InChIKey: IMDBIFBXZCZICQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-{3-[(2-fluorophenyl)methoxy]azetidine-1-carbonyl}piperidin-1-yl)acetamide
• IUPAC Traditional name: 2-(3-{3-[(2-fluorophenyl)methoxy]azetidine-1-carbonyl}piperidin-1-yl)acetamide
• Synonyms: 2-[3-({3-[(2-fluorobenzyl)oxy]-1-azetidinyl}carbonyl)-1-piperidinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.970176
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.6466327
• LogD (pH = 7.4): 0.027382158
• Log P: 0.43907946
• Molar Refractivity: 91.3121 cm^3
• Polarizability: 35.31495 Å^3
• Polar Surface Area: 75.87 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.84
• LOG S: -2.46
• Polar Surface Area: 75.87 Å^2
• Rotatable Bonds: 6