2-methoxy-3-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyrazine

• ChemBase ID: 596602
• Molecular Formular: C16H24N4O2
• Molecular Mass: 304.38736
• Monoisotopic Mass: 304.18992603
• SMILES: c1(N2CCC(C(=O)N3CCCCC3)CC2)c(nccn1)OC
• Canonical SMILES: COc1nccnc1N1CCC(CC1)C(=O)N1CCCCC1
• InChI: InChI=1S/C16H24N4O2/c1-22-15-14(17-7-8-18-15)19-11-5-13(6-12-19)16(21)20-9-3-2-4-10-20/h7-8,13H,2-6,9-12H2,1H3
• InChIKey: LEWJDDSYBQHXJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-3-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyrazine
• IUPAC Traditional name: 2-methoxy-3-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyrazine
• Synonyms: 2-methoxy-3-[4-(1-piperidinylcarbonyl)-1-piperidinyl]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.2410207
• LogD (pH = 7.4): 1.2410742
• Log P: 1.2410749
• Molar Refractivity: 85.4025 cm^3
• Polarizability: 32.2275 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: 2.4
• LOG S: -3.47
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 3