N-methyl-N-(propan-2-yl)piperidine-3-carboxamide

• ChemBase ID: 265265
• Molecular Formular: C10H20N2O
• Molecular Mass: 184.2786
• Monoisotopic Mass: 184.15756327
• SMILES: C(=O)(N(C(C)C)C)C1CNCCC1
• Canonical SMILES: CC(N(C(=O)C1CCCNC1)C)C
• InChI: InChI=1S/C10H20N2O/c1-8(2)12(3)10(13)9-5-4-6-11-7-9/h8-9,11H,4-7H2,1-3H3
• InChIKey: OXRIXTMBHOHTKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(propan-2-yl)piperidine-3-carboxamide
• IUPAC Traditional name: N-isopropyl-N-methylpiperidine-3-carboxamide
• Synonyms: N-methyl-N-(propan-2-yl)piperidine-3-carboxamide

Database IDs

• MDL Number: MFCD09815804
• PubChem SID: 164321175
• PubChem CID: 18073102

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.736064
• LogD (pH = 7.4): -1.7176323
• Log P: 0.44993213
• Molar Refractivity: 53.7043 cm^3
• Polarizability: 21.152966 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.789

Product Information

• Purity: 95%