2-(4-chlorophenyl)-4-[6-(piperidine-1-carbonyl)pyrazin-2-yl]morpholine

• ChemBase ID: 585993
• Molecular Formular: C20H23ClN4O2
• Molecular Mass: 386.87522
• Monoisotopic Mass: 386.15095368
• SMILES: c1(nc(N2CC(c3ccc(cc3)Cl)OCC2)cnc1)C(=O)N1CCCCC1
• Canonical SMILES: Clc1ccc(cc1)C1OCCN(C1)c1cncc(n1)C(=O)N1CCCCC1
• InChI: InChI=1S/C20H23ClN4O2/c21-16-6-4-15(5-7-16)18-14-25(10-11-27-18)19-13-22-12-17(23-19)20(26)24-8-2-1-3-9-24/h4-7,12-13,18H,1-3,8-11,14H2
• InChIKey: IZQYMRXMCSMIGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-chlorophenyl)-4-[6-(piperidine-1-carbonyl)pyrazin-2-yl]morpholine
• IUPAC Traditional name: 2-(4-chlorophenyl)-4-[6-(piperidine-1-carbonyl)pyrazin-2-yl]morpholine
• Synonyms: 2-(4-chlorophenyl)-4-[6-(piperidin-1-ylcarbonyl)pyrazin-2-yl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.9443948
• LogD (pH = 7.4): 2.9443955
• Log P: 2.9443955
• Molar Refractivity: 105.2902 cm^3
• Polarizability: 39.807102 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.7
• LOG S: -4.33
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 3