2-methyl-N-(piperidin-3-yl)propanamide

• ChemBase ID: 267384
• Molecular Formular: C9H18N2O
• Molecular Mass: 170.25202
• Monoisotopic Mass: 170.14191321
• SMILES: C(=O)(NC1CNCCC1)C(C)C
• Canonical SMILES: O=C(C(C)C)NC1CCCNC1
• InChI: InChI=1S/C9H18N2O/c1-7(2)9(12)11-8-4-3-5-10-6-8/h7-8,10H,3-6H2,1-2H3,(H,11,12)
• InChIKey: LUQMAIJPUJURSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-N-(piperidin-3-yl)propanamide
• IUPAC Traditional name: 2-methyl-N-(piperidin-3-yl)propanamide
• Synonyms: 2-methyl-N-(piperidin-3-yl)propanamide

Database IDs

• MDL Number: MFCD09809418
• PubChem SID: 164323294
• PubChem CID: 20118171

CALCULATED PROPERTIES

• Acid pKa: 16.111734
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.6376808
• LogD (pH = 7.4): -1.5578778
• Log P: 0.538071
• Molar Refractivity: 48.4996 cm^3
• Polarizability: 19.311396 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.402

Product Information

• Purity: 95%