N-(4-fluorophenyl)-1-(1-methyl-1H-indole-2-carbonyl)piperidin-3-amine

• ChemBase ID: 439613
• Molecular Formular: C21H22FN3O
• Molecular Mass: 351.4172832
• Monoisotopic Mass: 351.17469056
• SMILES: c1(n(c2c(c1)cccc2)C)C(=O)N1CC(Nc2ccc(F)cc2)CCC1
• Canonical SMILES: Fc1ccc(cc1)NC1CCCN(C1)C(=O)c1cc2c(n1C)cccc2
• InChI: InChI=1S/C21H22FN3O/c1-24-19-7-3-2-5-15(19)13-20(24)21(26)25-12-4-6-18(14-25)23-17-10-8-16(22)9-11-17/h2-3,5,7-11,13,18,23H,4,6,12,14H2,1H3
• InChIKey: UMVQMVJTFVIUCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-fluorophenyl)-1-(1-methyl-1H-indole-2-carbonyl)piperidin-3-amine
• IUPAC Traditional name: N-(4-fluorophenyl)-1-(1-methylindole-2-carbonyl)piperidin-3-amine
• Synonyms: N-(4-fluorophenyl)-1-[(1-methyl-1H-indol-2-yl)carbonyl]-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.337621
• LogD (pH = 7.4): 3.3956504
• Log P: 3.396443
• Molar Refractivity: 102.5009 cm^3
• Polarizability: 38.99428 Å^3
• Polar Surface Area: 37.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.09
• LOG S: -6.13
• Polar Surface Area: 37.27 Å^2
• Rotatable Bonds: 3