2-(piperidin-2-yl)acetamide

• ChemBase ID: 266011
• Molecular Formular: C7H14N2O
• Molecular Mass: 142.19886
• Monoisotopic Mass: 142.11061308
• SMILES: C(=O)(CC1NCCCC1)N
• Canonical SMILES: NC(=O)CC1CCCCN1
• InChI: InChI=1S/C7H14N2O/c8-7(10)5-6-3-1-2-4-9-6/h6,9H,1-5H2,(H2,8,10)
• InChIKey: RNGRYWXHDOJTFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-2-yl)acetamide
• IUPAC Traditional name: 2-(piperidin-2-yl)acetamide
• Synonyms: 2-(piperidin-2-yl)acetamide; 2-piperidin-2-ylacetamide

Database IDs

• MDL Number: MFCD05859702
• PubChem SID: 164321921
• PubChem CID: 5295256

CALCULATED PROPERTIES

• Acid pKa: 16.764856
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.5706642
• LogD (pH = 7.4): -2.623687
• Log P: -0.37469184
• Molar Refractivity: 39.1118 cm^3
• Polarizability: 15.631624 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 108 - 110°C
• Hydrophobicity(logP): -0.018

Product Information

• Purity: 95%