N1-[2-(pyridin-2-ylmethoxy)phenyl]piperidine-1,3-dicarboxamide

• ChemBase ID: 676671
• Molecular Formular: C19H22N4O3
• Molecular Mass: 354.40298
• Monoisotopic Mass: 354.16919058
• SMILES: C(=O)(N1CC(C(=O)N)CCC1)Nc1c(OCc2ncccc2)cccc1
• Canonical SMILES: NC(=O)C1CCCN(C1)C(=O)Nc1ccccc1OCc1ccccn1
• InChI: InChI=1S/C19H22N4O3/c20-18(24)14-6-5-11-23(12-14)19(25)22-16-8-1-2-9-17(16)26-13-15-7-3-4-10-21-15/h1-4,7-10,14H,5-6,11-13H2,(H2,20,24)(H,22,25)
• InChIKey: GDCZLXLUUDJGNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N1-[2-(pyridin-2-ylmethoxy)phenyl]piperidine-1,3-dicarboxamide
• IUPAC Traditional name: N1-[2-(pyridin-2-ylmethoxy)phenyl]piperidine-1,3-dicarboxamide
• Synonyms: N~1~-[2-(pyridin-2-ylmethoxy)phenyl]piperidine-1,3-dicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.863798
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.1695654
• LogD (pH = 7.4): 1.1773254
• Log P: 1.1774396
• Molar Refractivity: 97.8379 cm^3
• Polarizability: 37.25652 Å^3
• Polar Surface Area: 97.55 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.05
• LOG S: -1.84
• Polar Surface Area: 97.55 Å^2
• Rotatable Bonds: 5