2-(4-acetylpiperazin-1-yl)-N,N-bis(prop-2-en-1-yl)acetamide

• ChemBase ID: 646080
• Molecular Formular: C14H23N3O2
• Molecular Mass: 265.35132
• Monoisotopic Mass: 265.17902699
• SMILES: N1(C(=O)C)CCN(CC(=O)N(CC=C)CC=C)CC1
• Canonical SMILES: C=CCN(C(=O)CN1CCN(CC1)C(=O)C)CC=C
• InChI: InChI=1S/C14H23N3O2/c1-4-6-17(7-5-2)14(19)12-15-8-10-16(11-9-15)13(3)18/h4-5H,1-2,6-12H2,3H3
• InChIKey: MIFWVZDHANDGJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-acetylpiperazin-1-yl)-N,N-bis(prop-2-en-1-yl)acetamide
• IUPAC Traditional name: 2-(4-acetylpiperazin-1-yl)-N,N-bis(prop-2-en-1-yl)acetamide
• Synonyms: 2-(4-acetylpiperazin-1-yl)-N,N-diallylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.7196113
• LogD (pH = 7.4): -0.16929492
• Log P: -0.15492414
• Molar Refractivity: 76.335 cm^3
• Polarizability: 29.248266 Å^3
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.93
• LOG S: -1.93
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 6