4-{3-[4-(pyrazin-2-yl)piperazine-1-carbonyl]phenyl}morpholine

• ChemBase ID: 599712
• Molecular Formular: C19H23N5O2
• Molecular Mass: 353.41822
• Monoisotopic Mass: 353.185175
• SMILES: C(=O)(N1CCN(c2nccnc2)CC1)c1cc(N2CCOCC2)ccc1
• Canonical SMILES: O=C(c1cccc(c1)N1CCOCC1)N1CCN(CC1)c1cnccn1
• InChI: InChI=1S/C19H23N5O2/c25-19(16-2-1-3-17(14-16)22-10-12-26-13-11-22)24-8-6-23(7-9-24)18-15-20-4-5-21-18/h1-5,14-15H,6-13H2
• InChIKey: WFJLKMJTCPPHLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{3-[4-(pyrazin-2-yl)piperazine-1-carbonyl]phenyl}morpholine
• IUPAC Traditional name: 4-{3-[4-(pyrazin-2-yl)piperazine-1-carbonyl]phenyl}morpholine
• Synonyms: 4-{3-[(4-pyrazin-2-ylpiperazin-1-yl)carbonyl]phenyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.0580242
• LogD (pH = 7.4): 1.0581328
• Log P: 1.0581341
• Molar Refractivity: 100.9812 cm^3
• Polarizability: 37.223545 Å^3
• Polar Surface Area: 61.8 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: -0.62
• LOG S: -2.56
• Polar Surface Area: 61.8 Å^2
• Rotatable Bonds: 3