N-(piperidin-3-yl)acetamide

• ChemBase ID: 34551
• Molecular Formular: C7H14N2O
• Molecular Mass: 142.19886
• Monoisotopic Mass: 142.11061308
• SMILES: C1CNCC(C1)NC(=O)C
• Canonical SMILES: CC(=O)NC1CCCNC1
• InChI: InChI=1S/C7H14N2O/c1-6(10)9-7-3-2-4-8-5-7/h7-8H,2-5H2,1H3,(H,9,10)
• InChIKey: BCXSCZDWARFWAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(piperidin-3-yl)acetamide
• IUPAC Traditional name: N-(piperidin-3-yl)acetamide
• Synonyms: N-Piperidin-3-ylacetamide; N-(piperidin-3-yl)acetamide; 3-Acetamidopiperidine

Database IDs

• CAS Number: 5810-55-9
• MDL Number: MFCD05022483
• PubChem SID: 160997858
• PubChem CID: 4169719

CALCULATED PROPERTIES

• Acid pKa: 16.106329
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.8812046
• LogD (pH = 7.4): -2.801413
• Log P: -0.70545113
• Molar Refractivity: 39.2982 cm^3
• Polarizability: 15.631624 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 65 - 67°C
• Hydrophobicity(logP): -0.436

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%