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

• ChemBase ID: 480595
• Molecular Formular: C23H26FN3O
• Molecular Mass: 379.4704432
• Monoisotopic Mass: 379.20599069
• SMILES: c1(n(c2c(c1)cccc2)C)C(=O)N(C1CN(Cc2c(F)cccc2)CCC1)C
• Canonical SMILES: Fc1ccccc1CN1CCCC(C1)N(C(=O)c1cc2c(n1C)cccc2)C
• InChI: InChI=1S/C23H26FN3O/c1-25(23(28)22-14-17-8-4-6-12-21(17)26(22)2)19-10-7-13-27(16-19)15-18-9-3-5-11-20(18)24/h3-6,8-9,11-12,14,19H,7,10,13,15-16H2,1-2H3
• InChIKey: TZZYCOFYAMZTFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.036004
• LogD (pH = 7.4): 3.596862
• Log P: 3.8650615
• Molar Refractivity: 110.8498 cm^3
• Polarizability: 43.068405 Å^3
• Polar Surface Area: 28.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.34
• LOG S: -4.59
• Polar Surface Area: 28.48 Å^2
• Rotatable Bonds: 4