1-{3-[3-(benzyloxy)azetidine-1-carbonyl]piperidin-1-yl}ethan-1-one

• ChemBase ID: 841692
• Molecular Formular: C18H24N2O3
• Molecular Mass: 316.39476
• Monoisotopic Mass: 316.17869264
• SMILES: N1(C(=O)C2CN(C(=O)C)CCC2)CC(C1)OCc1ccccc1
• Canonical SMILES: O=C(C1CCCN(C1)C(=O)C)N1CC(C1)OCc1ccccc1
• InChI: InChI=1S/C18H24N2O3/c1-14(21)19-9-5-8-16(10-19)18(22)20-11-17(12-20)23-13-15-6-3-2-4-7-15/h2-4,6-7,16-17H,5,8-13H2,1H3
• InChIKey: FFYMNAKYCQPDLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{3-[3-(benzyloxy)azetidine-1-carbonyl]piperidin-1-yl}ethan-1-one
• IUPAC Traditional name: 1-{3-[3-(benzyloxy)azetidine-1-carbonyl]piperidin-1-yl}ethanone
• Synonyms: 1-acetyl-3-{[3-(benzyloxy)-1-azetidinyl]carbonyl}piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.85223097
• LogD (pH = 7.4): 0.85223114
• Log P: 0.85223114
• Molar Refractivity: 87.4601 cm^3
• Polarizability: 34.08083 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: 1.34
• LOG S: -2.65
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 4