N-methyl-2-[3-oxo-1-(piperidin-4-yl)piperazin-2-yl]acetamide

• ChemBase ID: 585133
• Molecular Formular: C12H22N4O2
• Molecular Mass: 254.32868
• Monoisotopic Mass: 254.17427596
• SMILES: N1(C(C(=O)NCC1)CC(=O)NC)C1CCNCC1
• Canonical SMILES: CNC(=O)CC1C(=O)NCCN1C1CCNCC1
• InChI: InChI=1S/C12H22N4O2/c1-13-11(17)8-10-12(18)15-6-7-16(10)9-2-4-14-5-3-9/h9-10,14H,2-8H2,1H3,(H,13,17)(H,15,18)
• InChIKey: QFOLVIKJIGISHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-[3-oxo-1-(piperidin-4-yl)piperazin-2-yl]acetamide
• IUPAC Traditional name: N-methyl-2-[3-oxo-1-(piperidin-4-yl)piperazin-2-yl]acetamide
• Synonyms: N-methyl-2-(3-oxo-1-piperidin-4-ylpiperazin-2-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.357257
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -5.85411
• LogD (pH = 7.4): -4.8016863
• Log P: -2.0991948
• Molar Refractivity: 68.2272 cm^3
• Polarizability: 26.868374 Å^3
• Polar Surface Area: 73.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -2.12
• LOG S: -0.56
• Polar Surface Area: 73.47 Å^2
• Rotatable Bonds: 3