6-[2-(1-methylpiperidin-2-yl)ethyl]-5,6-dihydro-1,6-naphthyridin-5-one

• ChemBase ID: 478702
• Molecular Formular: C16H21N3O
• Molecular Mass: 271.35744
• Monoisotopic Mass: 271.16846231
• SMILES: c1(=O)c2c(ccn1CCC1N(C)CCCC1)nccc2
• Canonical SMILES: CN1CCCCC1CCn1ccc2c(c1=O)cccn2
• InChI: InChI=1S/C16H21N3O/c1-18-10-3-2-5-13(18)7-11-19-12-8-15-14(16(19)20)6-4-9-17-15/h4,6,8-9,12-13H,2-3,5,7,10-11H2,1H3
• InChIKey: WKWLZMYFQCXBNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[2-(1-methylpiperidin-2-yl)ethyl]-5,6-dihydro-1,6-naphthyridin-5-one
• IUPAC Traditional name: 6-[2-(1-methylpiperidin-2-yl)ethyl]-1,6-naphthyridin-5-one
• Synonyms: 6-[2-(1-methylpiperidin-2-yl)ethyl]-1,6-naphthyridin-5(6H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.6971918
• LogD (pH = 7.4): -0.14947656
• Log P: 1.552632
• Molar Refractivity: 80.4252 cm^3
• Polarizability: 30.581034 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.83
• LOG S: -2.74
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 3