2,2-dimethyl-N-(piperidin-3-ylmethyl)propanamide

• ChemBase ID: 272028
• Molecular Formular: C11H22N2O
• Molecular Mass: 198.30518
• Monoisotopic Mass: 198.17321333
• SMILES: C(=O)(NCC1CNCCC1)C(C)(C)C
• Canonical SMILES: O=C(C(C)(C)C)NCC1CCCNC1
• InChI: InChI=1S/C11H22N2O/c1-11(2,3)10(14)13-8-9-5-4-6-12-7-9/h9,12H,4-8H2,1-3H3,(H,13,14)
• InChIKey: NAVGWFHUPSYDKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD05022467
• PubChem SID: 164327938
• PubChem CID: 4341893

CALCULATED PROPERTIES

• Acid pKa: 16.293262
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.0890672
• LogD (pH = 7.4): -1.5444002
• Log P: 1.1388398
• Molar Refractivity: 57.9406 cm^3
• Polarizability: 22.99533 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.39

Product Information

• Purity: 95%