N-{1-[(2-fluorophenyl)methyl]piperidin-3-yl}-6-methoxy-N,1-dimethyl-1H-indole-2-carboxamide

• ChemBase ID: 705433
• Molecular Formular: C24H28FN3O2
• Molecular Mass: 409.4964232
• Monoisotopic Mass: 409.21655537
• SMILES: c1(n(c2c(c1)ccc(c2)OC)C)C(=O)N(C1CN(Cc2c(F)cccc2)CCC1)C
• Canonical SMILES: COc1ccc2c(c1)n(C)c(c2)C(=O)N(C1CCCN(C1)Cc1ccccc1F)C
• InChI: InChI=1S/C24H28FN3O2/c1-26(19-8-6-12-28(16-19)15-18-7-4-5-9-21(18)25)24(29)23-13-17-10-11-20(30-3)14-22(17)27(23)2/h4-5,7,9-11,13-14,19H,6,8,12,15-16H2,1-3H3
• InChIKey: UJSCOBVEWFHIMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[(2-fluorophenyl)methyl]piperidin-3-yl}-6-methoxy-N,1-dimethyl-1H-indole-2-carboxamide
• IUPAC Traditional name: N-{1-[(2-fluorophenyl)methyl]piperidin-3-yl}-6-methoxy-N,1-dimethylindole-2-carboxamide
• Synonyms: N-[1-(2-fluorobenzyl)-3-piperidinyl]-6-methoxy-N,1-dimethyl-1H-indole-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8750801
• LogD (pH = 7.4): 3.4376342
• Log P: 3.7073903
• Molar Refractivity: 117.313 cm^3
• Polarizability: 45.576218 Å^3
• Polar Surface Area: 37.71 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.38
• LOG S: -4.36
• Polar Surface Area: 37.71 Å^2
• Rotatable Bonds: 4