N-(piperidin-3-yl)propanamide

• ChemBase ID: 266667
• Molecular Formular: C8H16N2O
• Molecular Mass: 156.22544
• Monoisotopic Mass: 156.12626314
• SMILES: C(=O)(NC1CNCCC1)CC
• Canonical SMILES: CCC(=O)NC1CCCNC1
• InChI: InChI=1S/C8H16N2O/c1-2-8(11)10-7-4-3-5-9-6-7/h7,9H,2-6H2,1H3,(H,10,11)
• InChIKey: YCSINODYAVEIAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(piperidin-3-yl)propanamide
• IUPAC Traditional name: N-(piperidin-3-yl)propanamide
• Synonyms: N-(piperidin-3-yl)propanamide

Database IDs

• MDL Number: MFCD06740161
• PubChem SID: 164322577
• PubChem CID: 3520588

CALCULATED PROPERTIES

• Acid pKa: 16.11426
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.1806679
• LogD (pH = 7.4): -2.1008708
• Log P: -0.004915294
• Molar Refractivity: 43.9251 cm^3
• Polarizability: 17.470844 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.093

Product Information

• Purity: 95%