3-(piperidin-4-yl)propanamide

• ChemBase ID: 245760
• Molecular Formular: C8H16N2O
• Molecular Mass: 156.22544
• Monoisotopic Mass: 156.12626314
• SMILES: C(=O)(N)CCC1CCNCC1
• Canonical SMILES: NC(=O)CCC1CCNCC1
• InChI: InChI=1S/C8H16N2O/c9-8(11)2-1-7-3-5-10-6-4-7/h7,10H,1-6H2,(H2,9,11)
• InChIKey: TZONNMJKAPGHSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(piperidin-4-yl)propanamide
• IUPAC Traditional name: 3-(piperidin-4-yl)propanamide
• Synonyms: 3-(piperidin-4-yl)propanamide; 3-piperidin-4-ylpropanamide

Database IDs

• CAS Number: 915923-07-8
• MDL Number: MFCD08060049
• PubChem SID: 164301670
• PubChem CID: 17790756

CALCULATED PROPERTIES

• Acid pKa: 16.848415
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.5251284
• LogD (pH = 7.4): -3.0688014
• Log P: -0.2935403
• Molar Refractivity: 44.0736 cm^3
• Polarizability: 17.470844 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 64 - 66°C
• Hydrophobicity(logP): -0.354

Product Information

• Purity: 95%