N-(piperidin-3-ylmethyl)butanamide

• ChemBase ID: 268028
• Molecular Formular: C10H20N2O
• Molecular Mass: 184.2786
• Monoisotopic Mass: 184.15756327
• SMILES: C(=O)(NCC1CNCCC1)CCC
• Canonical SMILES: CCCC(=O)NCC1CCCNC1
• InChI: InChI=1S/C10H20N2O/c1-2-4-10(13)12-8-9-5-3-6-11-7-9/h9,11H,2-8H2,1H3,(H,12,13)
• InChIKey: UMHKNAGCZCXRJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(piperidin-3-ylmethyl)butanamide
• IUPAC Traditional name: N-(piperidin-3-ylmethyl)butanamide
• Synonyms: N-(piperidin-3-ylmethyl)butanamide

Database IDs

• MDL Number: MFCD09804047
• PubChem SID: 164323938
• PubChem CID: 20116299

CALCULATED PROPERTIES

• Acid pKa: 16.356552
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.7434976
• LogD (pH = 7.4): -2.1988323
• Log P: 0.4844079
• Molar Refractivity: 53.4661 cm^3
• Polarizability: 21.152966 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.211

Product Information

• Purity: 95%