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

• ChemBase ID: 268027
• Molecular Formular: C10H20N2O
• Molecular Mass: 184.2786
• Monoisotopic Mass: 184.15756327
• SMILES: C(=O)(NCC1CNCCC1)C(C)C
• Canonical SMILES: O=C(C(C)C)NCC1CCCNC1
• InChI: InChI=1S/C10H20N2O/c1-8(2)10(13)12-7-9-4-3-5-11-6-9/h8-9,11H,3-7H2,1-2H3,(H,12,13)
• InChIKey: JCOIHRBJEBTAKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09802640
• PubChem SID: 164323937
• PubChem CID: 20118033

CALCULATED PROPERTIES

• Acid pKa: 16.309828
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.6450803
• LogD (pH = 7.4): -2.1004145
• Log P: 0.58282554
• Molar Refractivity: 53.4396 cm^3
• Polarizability: 21.152966 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.0090

Product Information

• Purity: 95%