N-[3-(dimethylamino)propyl]-2-(piperazin-1-yl)acetamide

• ChemBase ID: 124896
• Molecular Formular: C11H24N4O
• Molecular Mass: 228.33446
• Monoisotopic Mass: 228.19501141
• SMILES: N1(CC(=O)NCCCN(C)C)CCNCC1
• Canonical SMILES: CN(CCCNC(=O)CN1CCNCC1)C
• InChI: InChI=1S/C11H24N4O/c1-14(2)7-3-4-13-11(16)10-15-8-5-12-6-9-15/h12H,3-10H2,1-2H3,(H,13,16)
• InChIKey: YRZFXZQCMCBRAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(dimethylamino)propyl]-2-(piperazin-1-yl)acetamide
• IUPAC Traditional name: N-[3-(dimethylamino)propyl]-2-(piperazin-1-yl)acetamide
• Synonyms: N-(3-(dimethylamino)propyl)-2-(piperazin-1-yl)acetamide

Database IDs

• PubChem SID: 162219249
• PubChem CID: 28807471

CALCULATED PROPERTIES

• Acid pKa: 16.072374
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -7.722413
• LogD (pH = 7.4): -4.789367
• Log P: -1.3724378
• Molar Refractivity: 66.4315 cm^3
• Polarizability: 26.048763 Å^3
• Polar Surface Area: 47.61 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true