1-(furan-3-carbonyl)-4-(pyridin-3-yl)piperazine

• ChemBase ID: 862367
• Molecular Formular: C14H15N3O2
• Molecular Mass: 257.2878
• Monoisotopic Mass: 257.11642674
• SMILES: C(=O)(c1cocc1)N1CCN(CC1)c1cnccc1
• Canonical SMILES: O=C(c1ccoc1)N1CCN(CC1)c1cccnc1
• InChI: InChI=1S/C14H15N3O2/c18-14(12-3-9-19-11-12)17-7-5-16(6-8-17)13-2-1-4-15-10-13/h1-4,9-11H,5-8H2
• InChIKey: IEECPBMEAAKBFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(furan-3-carbonyl)-4-(pyridin-3-yl)piperazine
• IUPAC Traditional name: 1-(furan-3-carbonyl)-4-(pyridin-3-yl)piperazine
• Synonyms: 1-(3-furoyl)-4-(3-pyridinyl)piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.64427584
• LogD (pH = 7.4): 0.92633396
• Log P: 0.9320511
• Molar Refractivity: 71.8349 cm^3
• Polarizability: 26.5222 Å^3
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.38
• LOG S: -1.4
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 2