N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-(piperidin-4-yl)acetamide hydrochloride

• ChemBase ID: 62225
• Molecular Formular: C11H19ClN4O2
• Molecular Mass: 274.74716
• Monoisotopic Mass: 274.11965355
• SMILES: c1(nonc1C)CNC(=O)CC1CCNCC1.Cl
• Canonical SMILES: O=C(CC1CCNCC1)NCc1nonc1C.Cl
• InChI: InChI=1S/C11H18N4O2.ClH/c1-8-10(15-17-14-8)7-13-11(16)6-9-2-4-12-5-3-9;/h9,12H,2-7H2,1H3,(H,13,16);1H
• InChIKey: LUUCUVMHYRGBNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-(piperidin-4-yl)acetamide hydrochloride
• IUPAC Traditional name: N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-(piperidin-4-yl)acetamide hydrochloride
• Synonyms: N-(4-Methyl-furazan-3-ylmethyl)-2-piperidin-4-yl-acetamide hydrochloride

Database IDs

• MDL Number: MFCD21605853
• PubChem SID: 162027964
• PubChem CID: 71298597

CALCULATED PROPERTIES

• LogD (pH = 5.5): -4.2096677
• LogD (pH = 7.4): -3.5440724
• Log P: -0.9882724
• Molar Refractivity: 63.4218 cm^3
• Polarizability: 23.997358 Å^3
• Polar Surface Area: 80.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 13.664018
• H Acceptors: 4
• H Donor: 2

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false