5-[5-(piperidine-1-carbonyl)furan-2-yl]pyrimidine

• ChemBase ID: 489310
• Molecular Formular: C14H15N3O2
• Molecular Mass: 257.2878
• Monoisotopic Mass: 257.11642674
• SMILES: c1(oc(cc1)c1cncnc1)C(=O)N1CCCCC1
• Canonical SMILES: O=C(c1ccc(o1)c1cncnc1)N1CCCCC1
• InChI: InChI=1S/C14H15N3O2/c18-14(17-6-2-1-3-7-17)13-5-4-12(19-13)11-8-15-10-16-9-11/h4-5,8-10H,1-3,6-7H2
• InChIKey: SDIMNSMLZMGVHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[5-(piperidine-1-carbonyl)furan-2-yl]pyrimidine
• IUPAC Traditional name: 5-[5-(piperidine-1-carbonyl)furan-2-yl]pyrimidine
• Synonyms: 5-[5-(piperidin-1-ylcarbonyl)-2-furyl]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.8255613
• LogD (pH = 7.4): 0.82556707
• Log P: 0.8255671
• Molar Refractivity: 71.1407 cm^3
• Polarizability: 27.683155 Å^3
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.97
• LOG S: -1.91
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 2