6-(1-cyclobutanecarbonylpiperidine-4-carbonyl)-5,6,7,8-tetrahydro-1,6-naphthyridine

• ChemBase ID: 496606
• Molecular Formular: C19H25N3O2
• Molecular Mass: 327.4207
• Monoisotopic Mass: 327.19467706
• SMILES: N1(C(=O)C2CCN(C(=O)C3CCC3)CC2)Cc2c(CC1)nccc2
• Canonical SMILES: O=C(N1CCc2c(C1)cccn2)C1CCN(CC1)C(=O)C1CCC1
• InChI: InChI=1S/C19H25N3O2/c23-18(14-3-1-4-14)21-10-6-15(7-11-21)19(24)22-12-8-17-16(13-22)5-2-9-20-17/h2,5,9,14-15H,1,3-4,6-8,10-13H2
• InChIKey: CESRQFGSZNKDBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(1-cyclobutanecarbonylpiperidine-4-carbonyl)-5,6,7,8-tetrahydro-1,6-naphthyridine
• IUPAC Traditional name: 6-(1-cyclobutanecarbonylpiperidine-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine
• Synonyms: 6-{[1-(cyclobutylcarbonyl)-4-piperidinyl]carbonyl}-5,6,7,8-tetrahydro-1,6-naphthyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.90863025
• LogD (pH = 7.4): 0.9311659
• Log P: 0.93146145
• Molar Refractivity: 91.4445 cm^3
• Polarizability: 35.44119 Å^3
• Polar Surface Area: 53.51 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: 1.05
• LOG S: -1.18
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 2