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

• ChemBase ID: 464378
• Molecular Formular: C21H27N3O3
• Molecular Mass: 369.45738
• Monoisotopic Mass: 369.20524174
• SMILES: N1(C(C(=O)NCC1)CC(=O)NCCCOC)Cc1cc2c(cc1)cccc2
• Canonical SMILES: COCCCNC(=O)CC1C(=O)NCCN1Cc1ccc2c(c1)cccc2
• InChI: InChI=1S/C21H27N3O3/c1-27-12-4-9-22-20(25)14-19-21(26)23-10-11-24(19)15-16-7-8-17-5-2-3-6-18(17)13-16/h2-3,5-8,13,19H,4,9-12,14-15H2,1H3,(H,22,25)(H,23,26)
• InChIKey: LKZFFTAXIHISCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.214633
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.25676957
• LogD (pH = 7.4): 0.9020381
• Log P: 0.9839812
• Molar Refractivity: 105.0425 cm^3
• Polarizability: 41.994125 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: 0.88
• LOG S: -2.65
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 8