N3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N1,N1-dimethylpiperidine-1,3-dicarboxamide

• ChemBase ID: 694877
• Molecular Formular: C20H28N4O3
• Molecular Mass: 372.46132
• Monoisotopic Mass: 372.21614078
• SMILES: C(=O)(N1CC(C(=O)NCCc2c3c([nH]c2)ccc(c3)OC)CCC1)N(C)C
• Canonical SMILES: COc1ccc2c(c1)c(CCNC(=O)C1CCCN(C1)C(=O)N(C)C)c[nH]2
• InChI: InChI=1S/C20H28N4O3/c1-23(2)20(26)24-10-4-5-15(13-24)19(25)21-9-8-14-12-22-18-7-6-16(27-3)11-17(14)18/h6-7,11-12,15,22H,4-5,8-10,13H2,1-3H3,(H,21,25)
• InChIKey: GPBBORCRGLVQJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N1,N1-dimethylpiperidine-1,3-dicarboxamide
• IUPAC Traditional name: N3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N1,N1-dimethylpiperidine-1,3-dicarboxamide
• Synonyms: N~3~-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N~1~,N~1~-dimethyl-1,3-piperidinedicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.686629
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.1308469
• LogD (pH = 7.4): 1.130847
• Log P: 1.130847
• Molar Refractivity: 104.5935 cm^3
• Polarizability: 41.12395 Å^3
• Polar Surface Area: 77.67 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.47
• LOG S: -3.17
• Polar Surface Area: 77.67 Å^2
• Rotatable Bonds: 5