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

• ChemBase ID: 765220
• Molecular Formular: C19H23N3O3
• Molecular Mass: 341.40422
• Monoisotopic Mass: 341.17394161
• SMILES: N1(C(C(=O)NCC1)CC(=O)NCCO)Cc1cc2c(cc1)cccc2
• Canonical SMILES: OCCNC(=O)CC1C(=O)NCCN1Cc1ccc2c(c1)cccc2
• InChI: InChI=1S/C19H23N3O3/c23-10-8-20-18(24)12-17-19(25)21-7-9-22(17)13-14-5-6-15-3-1-2-4-16(15)11-14/h1-6,11,17,23H,7-10,12-13H2,(H,20,24)(H,21,25)
• InChIKey: FSPPEXBPQQGNSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.242393
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.9598554
• LogD (pH = 7.4): 0.19895273
• Log P: 0.28089494
• Molar Refractivity: 95.4259 cm^3
• Polarizability: 38.233612 Å^3
• Polar Surface Area: 81.67 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -0.03
• LOG S: -2.97
• Polar Surface Area: 81.67 Å^2
• Rotatable Bonds: 6