N-methyl-2-(piperidin-4-ylformamido)acetamide

• ChemBase ID: 279647
• Molecular Formular: C9H17N3O2
• Molecular Mass: 199.25018
• Monoisotopic Mass: 199.1320768
• SMILES: C(=O)(NCC(=O)NC)C1CCNCC1
• Canonical SMILES: CNC(=O)CNC(=O)C1CCNCC1
• InChI: InChI=1S/C9H17N3O2/c1-10-8(13)6-12-9(14)7-2-4-11-5-3-7/h7,11H,2-6H2,1H3,(H,10,13)(H,12,14)
• InChIKey: XFNNPRCUUXEGDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(piperidin-4-ylformamido)acetamide
• IUPAC Traditional name: N-methyl-2-(piperidin-4-ylformamido)acetamide
• Synonyms: N-[2-(methylamino)-2-oxoethyl]piperidine-4-carboxamide

Database IDs

• MDL Number: MFCD08444686
• PubChem SID: 164335557
• PubChem CID: 16228139

CALCULATED PROPERTIES

• Acid pKa: 13.212054
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -5.034286
• LogD (pH = 7.4): -4.449798
• Log P: -1.8083177
• Molar Refractivity: 52.5977 cm^3
• Polarizability: 20.556536 Å^3
• Polar Surface Area: 70.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -2.033

Product Information

• Purity: 95%