4-[2-(morpholin-4-yl)-2-oxoethyl]-N-(2-propylphenyl)piperazine-1-carboxamide

• ChemBase ID: 581082
• Molecular Formular: C20H30N4O3
• Molecular Mass: 374.4772
• Monoisotopic Mass: 374.23179084
• SMILES: C(=O)(N1CCN(CC(=O)N2CCOCC2)CC1)Nc1c(CCC)cccc1
• Canonical SMILES: CCCc1ccccc1NC(=O)N1CCN(CC1)CC(=O)N1CCOCC1
• InChI: InChI=1S/C20H30N4O3/c1-2-5-17-6-3-4-7-18(17)21-20(26)24-10-8-22(9-11-24)16-19(25)23-12-14-27-15-13-23/h3-4,6-7H,2,5,8-16H2,1H3,(H,21,26)
• InChIKey: WUHQUWGNSIDEJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(morpholin-4-yl)-2-oxoethyl]-N-(2-propylphenyl)piperazine-1-carboxamide
• IUPAC Traditional name: 4-[2-(morpholin-4-yl)-2-oxoethyl]-N-(2-propylphenyl)piperazine-1-carboxamide
• Synonyms: 4-(2-morpholin-4-yl-2-oxoethyl)-N-(2-propylphenyl)piperazine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.50758
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.0869489
• LogD (pH = 7.4): 1.4665272
• Log P: 1.4743334
• Molar Refractivity: 106.4591 cm^3
• Polarizability: 40.345722 Å^3
• Polar Surface Area: 65.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.26
• LOG S: -3.86
• Polar Surface Area: 65.12 Å^2
• Rotatable Bonds: 5