6-[1-(furan-2-ylmethyl)piperidine-4-carbonyl]-5,6,7,8-tetrahydro-1,6-naphthyridine

• ChemBase ID: 569006
• Molecular Formular: C19H23N3O2
• Molecular Mass: 325.40482
• Monoisotopic Mass: 325.17902699
• SMILES: N1(C(=O)C2CCN(Cc3occc3)CC2)Cc2c(CC1)nccc2
• Canonical SMILES: O=C(N1CCc2c(C1)cccn2)C1CCN(CC1)Cc1ccco1
• InChI: InChI=1S/C19H23N3O2/c23-19(22-11-7-18-16(13-22)3-1-8-20-18)15-5-9-21(10-6-15)14-17-4-2-12-24-17/h1-4,8,12,15H,5-7,9-11,13-14H2
• InChIKey: XYRULXHWJSTZHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.4270982
• LogD (pH = 7.4): 0.36921245
• Log P: 1.264922
• Molar Refractivity: 92.1766 cm^3
• Polarizability: 35.57241 Å^3
• Polar Surface Area: 49.58 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: 1.31
• LOG S: -1.39
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 3