6-[1-(oxan-4-yl)piperidine-3-carbonyl]-5,6,7,8-tetrahydro-1,6-naphthyridine

• ChemBase ID: 373489
• Molecular Formular: C19H27N3O2
• Molecular Mass: 329.43658
• Monoisotopic Mass: 329.21032712
• SMILES: N1(C(=O)C2CN(C3CCOCC3)CCC2)Cc2c(CC1)nccc2
• Canonical SMILES: O=C(N1CCc2c(C1)cccn2)C1CCCN(C1)C1CCOCC1
• InChI: InChI=1S/C19H27N3O2/c23-19(22-10-5-18-15(13-22)3-1-8-20-18)16-4-2-9-21(14-16)17-6-11-24-12-7-17/h1,3,8,16-17H,2,4-7,9-14H2
• InChIKey: IPBXCNAYCXGDIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[1-(oxan-4-yl)piperidine-3-carbonyl]-5,6,7,8-tetrahydro-1,6-naphthyridine
• IUPAC Traditional name: 6-[1-(oxan-4-yl)piperidine-3-carbonyl]-7,8-dihydro-5H-1,6-naphthyridine
• Synonyms: 6-{[1-(tetrahydro-2H-pyran-4-yl)-3-piperidinyl]carbonyl}-5,6,7,8-tetrahydro-1,6-naphthyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.868721
• LogD (pH = 7.4): -1.8309518
• Log P: 0.5972958
• Molar Refractivity: 93.4946 cm^3
• Polarizability: 36.446423 Å^3
• Polar Surface Area: 45.67 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: 2.62
• LOG S: -2.54
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 2