2-[4-(hydroxyimino)piperidin-1-yl]-N-phenylacetamide

• ChemBase ID: 252947
• Molecular Formular: C13H17N3O2
• Molecular Mass: 247.29298
• Monoisotopic Mass: 247.1320768
• SMILES: C(=O)(Nc1ccccc1)CN1CC/C(=N\O)/CC1
• Canonical SMILES: O/N=C/1\CCN(CC1)CC(=O)Nc1ccccc1
• InChI: InChI=1S/C13H17N3O2/c17-13(14-11-4-2-1-3-5-11)10-16-8-6-12(15-18)7-9-16/h1-5,18H,6-10H2,(H,14,17)
• InChIKey: QHBJMFUVXNZJCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(hydroxyimino)piperidin-1-yl]-N-phenylacetamide
• IUPAC Traditional name: 2-[4-(hydroxyimino)piperidin-1-yl]-N-phenylacetamide
• Synonyms: 2-[4-(hydroxyimino)piperidin-1-yl]-N-phenylacetamide

Database IDs

• MDL Number: MFCD08691250
• PubChem SID: 164308857
• PubChem CID: 16227523

CALCULATED PROPERTIES

• Acid pKa: 11.014153
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.23022725
• LogD (pH = 7.4): 0.9959677
• Log P: 1.0948977
• Molar Refractivity: 70.6471 cm^3
• Polarizability: 26.635386 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.396

Product Information

• Purity: 95%