2-(piperazin-1-yl)-N,N-bis(propan-2-yl)acetamide

• ChemBase ID: 123861
• Molecular Formular: C12H25N3O
• Molecular Mass: 227.3464
• Monoisotopic Mass: 227.19976244
• SMILES: C(=O)(N(C(C)C)C(C)C)CN1CCNCC1
• Canonical SMILES: CC(N(C(=O)CN1CCNCC1)C(C)C)C
• InChI: InChI=1S/C12H25N3O/c1-10(2)15(11(3)4)12(16)9-14-7-5-13-6-8-14/h10-11,13H,5-9H2,1-4H3
• InChIKey: IEEQHJRHOGRGQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperazin-1-yl)-N,N-bis(propan-2-yl)acetamide
• IUPAC Traditional name: N,N-diisopropyl-2-(piperazin-1-yl)acetamide
• Synonyms: N,N-diisopropyl-2-(piperazin-1-yl)acetamide

Database IDs

• PubChem SID: 162218214
• PubChem CID: 43090460

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.712936
• LogD (pH = 7.4): -1.21016
• Log P: 0.3193999
• Molar Refractivity: 66.7785 cm^3
• Polarizability: 26.364353 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true