6-[1-(furan-2-ylmethyl)piperidine-3-carbonyl]-5,6,7,8-tetrahydro-1,6-naphthyridine

• ChemBase ID: 692667
• Molecular Formular: C19H23N3O2
• Molecular Mass: 325.40482
• Monoisotopic Mass: 325.17902699
• SMILES: N1(C(=O)C2CN(Cc3occc3)CCC2)Cc2c(CC1)nccc2
• Canonical SMILES: O=C(N1CCc2c(C1)cccn2)C1CCCN(C1)Cc1ccco1
• InChI: InChI=1S/C19H23N3O2/c23-19(22-10-7-18-15(13-22)4-1-8-20-18)16-5-2-9-21(12-16)14-17-6-3-11-24-17/h1,3-4,6,8,11,16H,2,5,7,9-10,12-14H2
• InChIKey: VCSSZTGCDTZRHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.5080996
• LogD (pH = 7.4): 0.25584885
• Log P: 1.4208294
• Molar Refractivity: 92.0226 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: 1.41
• LOG S: -1.48
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 3