N-(2-methoxyphenyl)-2-(piperazin-1-yl)acetamide

• ChemBase ID: 123850
• Molecular Formular: C13H19N3O2
• Molecular Mass: 249.30886
• Monoisotopic Mass: 249.14772686
• SMILES: C(=O)(Nc1c(OC)cccc1)CN1CCNCC1
• Canonical SMILES: COc1ccccc1NC(=O)CN1CCNCC1
• InChI: InChI=1S/C13H19N3O2/c1-18-12-5-3-2-4-11(12)15-13(17)10-16-8-6-14-7-9-16/h2-5,14H,6-10H2,1H3,(H,15,17)
• InChIKey: XEEKCOQBTUWLPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyphenyl)-2-(piperazin-1-yl)acetamide
• IUPAC Traditional name: N-(2-methoxyphenyl)-2-(piperazin-1-yl)acetamide
• Synonyms: N-(2-methoxyphenyl)-2-(piperazin-1-yl)acetamide

Database IDs

• PubChem SID: 162218203
• PubChem CID: 16439874

CALCULATED PROPERTIES

• Acid pKa: 12.013785
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.6103566
• LogD (pH = 7.4): -1.1096084
• Log P: 0.40885505
• Molar Refractivity: 71.5686 cm^3
• Polarizability: 27.416426 Å^3
• Polar Surface Area: 53.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true