N-ethyl-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide

• ChemBase ID: 418258
• Molecular Formular: C19H23N3O2
• Molecular Mass: 325.40482
• Monoisotopic Mass: 325.17902699
• SMILES: N1(C(C(=O)NCC1)CC(=O)NCC)Cc1cc2c(cc1)cccc2
• Canonical SMILES: CCNC(=O)CC1C(=O)NCCN1Cc1ccc2c(c1)cccc2
• InChI: InChI=1S/C19H23N3O2/c1-2-20-18(23)12-17-19(24)21-9-10-22(17)13-14-7-8-15-5-3-4-6-16(15)11-14/h3-8,11,17H,2,9-10,12-13H2,1H3,(H,20,23)(H,21,24)
• InChIKey: UOQCFPIBNPSVFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
• IUPAC Traditional name: N-ethyl-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
• Synonyms: N-ethyl-2-[1-(2-naphthylmethyl)-3-oxo-2-piperazinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.379808
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.08705414
• LogD (pH = 7.4): 1.2458646
• Log P: 1.3278049
• Molar Refractivity: 93.8822 cm^3
• Polarizability: 37.630337 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.08
• LOG S: -2.5
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 5