2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-[2-(propan-2-yloxy)ethyl]acetamide

• ChemBase ID: 472745
• Molecular Formular: C15H29N3O3
• Molecular Mass: 299.40906
• Monoisotopic Mass: 299.2208918
• SMILES: N1(C(C(=O)NCC1)CC(=O)NCCOC(C)C)CC(C)C
• Canonical SMILES: CC(OCCNC(=O)CC1N(CCNC1=O)CC(C)C)C
• InChI: InChI=1S/C15H29N3O3/c1-11(2)10-18-7-5-17-15(20)13(18)9-14(19)16-6-8-21-12(3)4/h11-13H,5-10H2,1-4H3,(H,16,19)(H,17,20)
• InChIKey: QEMNRLQSIDELSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-[2-(propan-2-yloxy)ethyl]acetamide
• IUPAC Traditional name: N-(2-isopropoxyethyl)-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide
• Synonyms: 2-(1-isobutyl-3-oxo-2-piperazinyl)-N-(2-isopropoxyethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.141958
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.6951809
• LogD (pH = 7.4): -0.088081926
• Log P: 0.2277577
• Molar Refractivity: 82.0259 cm^3
• Polarizability: 32.28237 Å^3
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.83
• LOG S: -0.74
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 6