(3S,4R)-3-methoxy-1-(1,8-naphthyridine-2-carbonyl)piperidin-4-amine

• ChemBase ID: 596305
• Molecular Formular: C15H18N4O2
• Molecular Mass: 286.32902
• Monoisotopic Mass: 286.14297584
• SMILES: N1(C(=O)c2nc3ncccc3cc2)C[C@@H]([C@@H](CC1)N)OC
• Canonical SMILES: CO[C@H]1CN(CC[C@H]1N)C(=O)c1ccc2c(n1)nccc2
• InChI: InChI=1S/C15H18N4O2/c1-21-13-9-19(8-6-11(13)16)15(20)12-5-4-10-3-2-7-17-14(10)18-12/h2-5,7,11,13H,6,8-9,16H2,1H3/t11-,13+/m1/s1
• InChIKey: OQNHBWKHFZQGHV-YPMHNXCESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S,4R)-3-methoxy-1-(1,8-naphthyridine-2-carbonyl)piperidin-4-amine
• IUPAC Traditional name: (3S,4R)-3-methoxy-1-(1,8-naphthyridine-2-carbonyl)piperidin-4-amine
• Synonyms: (3S*,4R*)-3-methoxy-1-(1,8-naphthyridin-2-ylcarbonyl)piperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.878043
• LogD (pH = 7.4): -1.7854562
• Log P: 0.08608497
• Molar Refractivity: 79.1251 cm^3
• Polarizability: 30.756216 Å^3
• Polar Surface Area: 81.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -1.3
• LOG S: -1.49
• Polar Surface Area: 81.34 Å^2
• Rotatable Bonds: 2