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

• ChemBase ID: 358895
• Molecular Formular: C20H25N3O3
• Molecular Mass: 355.4308
• Monoisotopic Mass: 355.18959168
• SMILES: N1(C(C(=O)NCC1)CC(=O)NCCOC)Cc1cc2c(cc1)cccc2
• Canonical SMILES: COCCNC(=O)CC1C(=O)NCCN1Cc1ccc2c(c1)cccc2
• InChI: InChI=1S/C20H25N3O3/c1-26-11-9-21-19(24)13-18-20(25)22-8-10-23(18)14-15-6-7-16-4-2-3-5-17(16)12-15/h2-7,12,18H,8-11,13-14H2,1H3,(H,21,24)(H,22,25)
• InChIKey: DWXUWHMQVXMEIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.301357
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.31672886
• LogD (pH = 7.4): 0.8420803
• Log P: 0.9240214
• Molar Refractivity: 100.1771 cm^3
• Polarizability: 40.150406 Å^3
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.7
• LOG S: -2.39
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 7