N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-methoxy-6-methylbenzamide

• ChemBase ID: 623515
• Molecular Formular: C14H20N2O3
• Molecular Mass: 264.3202
• Monoisotopic Mass: 264.14739251
• SMILES: C(=O)(c1c(OC)cccc1C)N[C@H]1[C@H](O)CNCC1
• Canonical SMILES: COc1cccc(c1C(=O)N[C@@H]1CCNC[C@H]1O)C
• InChI: InChI=1S/C14H20N2O3/c1-9-4-3-5-12(19-2)13(9)14(18)16-10-6-7-15-8-11(10)17/h3-5,10-11,15,17H,6-8H2,1-2H3,(H,16,18)/t10-,11-/m1/s1
• InChIKey: IRNZGSHBBMFNEH-GHMZBOCLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-methoxy-6-methylbenzamide
• IUPAC Traditional name: N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-methoxy-6-methylbenzamide
• Synonyms: N-[(3R*,4R*)-3-hydroxypiperidin-4-yl]-2-methoxy-6-methylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.062712
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -2.8004754
• LogD (pH = 7.4): -1.6310145
• Log P: 0.35677582
• Molar Refractivity: 72.791 cm^3
• Polarizability: 28.08192 Å^3
• Polar Surface Area: 70.59 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 0.24
• LOG S: -2.64
• Polar Surface Area: 70.59 Å^2
• Rotatable Bonds: 3