2-(piperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide dihydrochloride

• ChemBase ID: 55242
• Molecular Formular: C15H25Cl2N3O4
• Molecular Mass: 382.2827
• Monoisotopic Mass: 381.12221166
• SMILES: c1(c(cc(cc1OC)NC(=O)CN1CCNCC1)OC)OC.Cl.Cl
• Canonical SMILES: COc1cc(NC(=O)CN2CCNCC2)cc(c1OC)OC.Cl.Cl
• InChI: InChI=1S/C15H23N3O4.2ClH/c1-20-12-8-11(9-13(21-2)15(12)22-3)17-14(19)10-18-6-4-16-5-7-18;;/h8-9,16H,4-7,10H2,1-3H3,(H,17,19);2*1H
• InChIKey: AMBGUYKTQSHFPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide dihydrochloride
• IUPAC Traditional name: 2-(piperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide dihydrochloride
• Synonyms: 2-Piperazin-1-yl-N-(3,4,5-trimethoxyphenyl)-acetamide dihydrochloride

Database IDs

• MDL Number: MFCD13857407
• PubChem SID: 162060005
• PubChem CID: 56773508

CALCULATED PROPERTIES

• Acid pKa: 13.244249
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -2.9260223
• LogD (pH = 7.4): -1.4252194
• Log P: 0.09351251
• Molar Refractivity: 84.495 cm^3
• Polarizability: 32.4779 Å^3
• Polar Surface Area: 72.06 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false