2-[2-(3-methoxypropyl)piperidine-1-carbonyl]pyrazine

• ChemBase ID: 496891
• Molecular Formular: C14H21N3O2
• Molecular Mass: 263.33544
• Monoisotopic Mass: 263.16337693
• SMILES: C(=O)(N1C(CCCOC)CCCC1)c1nccnc1
• Canonical SMILES: COCCCC1CCCCN1C(=O)c1nccnc1
• InChI: InChI=1S/C14H21N3O2/c1-19-10-4-6-12-5-2-3-9-17(12)14(18)13-11-15-7-8-16-13/h7-8,11-12H,2-6,9-10H2,1H3
• InChIKey: CRPOAOFKYRPTPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(3-methoxypropyl)piperidine-1-carbonyl]pyrazine
• IUPAC Traditional name: 2-[2-(3-methoxypropyl)piperidine-1-carbonyl]pyrazine
• Synonyms: 2-{[2-(3-methoxypropyl)-1-piperidinyl]carbonyl}pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.6622236
• LogD (pH = 7.4): 0.6622238
• Log P: 0.6622238
• Molar Refractivity: 72.6097 cm^3
• Polarizability: 27.929039 Å^3
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.23
• LOG S: -2.63
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 5