N-cyclopropyl-2-[4-(hydroxyimino)piperidin-1-yl]acetamide hydrochloride

• ChemBase ID: 253049
• Molecular Formular: C10H18ClN3O2
• Molecular Mass: 247.72182
• Monoisotopic Mass: 247.10875451
• SMILES: C(=O)(NC1CC1)CN1CCC(=NO)CC1.Cl
• Canonical SMILES: ON=C1CCN(CC1)CC(=O)NC1CC1.Cl
• InChI: InChI=1S/C10H17N3O2.ClH/c14-10(11-8-1-2-8)7-13-5-3-9(12-15)4-6-13;/h8,15H,1-7H2,(H,11,14);1H
• InChIKey: OESHDOIYRPEKCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09296974
• PubChem SID: 164308959
• PubChem CID: 17549923

CALCULATED PROPERTIES

• Acid pKa: 11.0769005
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.2452013
• LogD (pH = 7.4): -0.7065791
• Log P: -0.4571061
• Molar Refractivity: 56.2999 cm^3
• Polarizability: 21.875473 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.105

Product Information

• Purity: 95%