N-[3-(2-methoxyethoxy)phenyl]-3-(pyrimidin-4-yl)piperidine-1-carboxamide

• ChemBase ID: 477123
• Molecular Formular: C19H24N4O3
• Molecular Mass: 356.41886
• Monoisotopic Mass: 356.18484065
• SMILES: C(=O)(N1CC(c2ncncc2)CCC1)Nc1cc(OCCOC)ccc1
• Canonical SMILES: COCCOc1cccc(c1)NC(=O)N1CCCC(C1)c1ccncn1
• InChI: InChI=1S/C19H24N4O3/c1-25-10-11-26-17-6-2-5-16(12-17)22-19(24)23-9-3-4-15(13-23)18-7-8-20-14-21-18/h2,5-8,12,14-15H,3-4,9-11,13H2,1H3,(H,22,24)
• InChIKey: RKOGWTFMBJNQSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2-methoxyethoxy)phenyl]-3-(pyrimidin-4-yl)piperidine-1-carboxamide
• IUPAC Traditional name: N-[3-(2-methoxyethoxy)phenyl]-3-(pyrimidin-4-yl)piperidine-1-carboxamide
• Synonyms: N-[3-(2-methoxyethoxy)phenyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.000271
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.7535586
• LogD (pH = 7.4): 1.753584
• Log P: 1.7535855
• Molar Refractivity: 99.7958 cm^3
• Polarizability: 37.691593 Å^3
• Polar Surface Area: 76.58 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.0
• LOG S: -2.65
• Polar Surface Area: 76.58 Å^2
• Rotatable Bonds: 6