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

• ChemBase ID: 695657
• Molecular Formular: C19H23N3O2
• Molecular Mass: 325.40482
• Monoisotopic Mass: 325.17902699
• SMILES: N1(C(C(=O)NCC1)CC(=O)NCC)Cc1c2c(ccc1)cccc2
• Canonical SMILES: CCNC(=O)CC1C(=O)NCCN1Cc1cccc2c1cccc2
• InChI: InChI=1S/C19H23N3O2/c1-2-20-18(23)12-17-19(24)21-10-11-22(17)13-15-8-5-7-14-6-3-4-9-16(14)15/h3-9,17H,2,10-13H2,1H3,(H,20,23)(H,21,24)
• InChIKey: LPHRKOIBRPXELL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.4354925
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.27708575
• LogD (pH = 7.4): 1.1515875
• Log P: 1.3278049
• Molar Refractivity: 93.8822 cm^3
• Polarizability: 37.631096 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