N3-[3-(1H-indol-2-yl)phenyl]-N1,N1-dimethylpiperidine-1,3-dicarboxamide

• ChemBase ID: 549200
• Molecular Formular: C23H26N4O2
• Molecular Mass: 390.47814
• Monoisotopic Mass: 390.20557609
• SMILES: C(=O)(N1CC(C(=O)Nc2cc(c3[nH]c4c(c3)cccc4)ccc2)CCC1)N(C)C
• Canonical SMILES: O=C(C1CCCN(C1)C(=O)N(C)C)Nc1cccc(c1)c1cc2c([nH]1)cccc2
• InChI: InChI=1S/C23H26N4O2/c1-26(2)23(29)27-12-6-9-18(15-27)22(28)24-19-10-5-8-16(13-19)21-14-17-7-3-4-11-20(17)25-21/h3-5,7-8,10-11,13-14,18,25H,6,9,12,15H2,1-2H3,(H,24,28)
• InChIKey: QGIZWUALUFWMOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N3-[3-(1H-indol-2-yl)phenyl]-N1,N1-dimethylpiperidine-1,3-dicarboxamide
• IUPAC Traditional name: N3-[3-(1H-indol-2-yl)phenyl]-N1,N1-dimethylpiperidine-1,3-dicarboxamide
• Synonyms: N~3~-[3-(1H-indol-2-yl)phenyl]-N~1~,N~1~-dimethylpiperidine-1,3-dicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.760895
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.8601787
• LogD (pH = 7.4): 2.8601787
• Log P: 2.860179
• Molar Refractivity: 115.3348 cm^3
• Polarizability: 45.896152 Å^3
• Polar Surface Area: 68.44 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.42
• LOG S: -4.97
• Polar Surface Area: 68.44 Å^2
• Rotatable Bonds: 3