N-{1-[(2-fluorophenyl)methyl]piperidin-3-yl}-N-methyl-2-(morpholin-4-yl)benzamide

• ChemBase ID: 318517
• Molecular Formular: C24H30FN3O2
• Molecular Mass: 411.5123032
• Monoisotopic Mass: 411.23220544
• SMILES: C(=O)(c1c(N2CCOCC2)cccc1)N(C1CN(Cc2c(F)cccc2)CCC1)C
• Canonical SMILES: CN(C(=O)c1ccccc1N1CCOCC1)C1CCCN(C1)Cc1ccccc1F
• InChI: InChI=1S/C24H30FN3O2/c1-26(20-8-6-12-27(18-20)17-19-7-2-4-10-22(19)25)24(29)21-9-3-5-11-23(21)28-13-15-30-16-14-28/h2-5,7,9-11,20H,6,8,12-18H2,1H3
• InChIKey: RGQMZRQRHIOMRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[(2-fluorophenyl)methyl]piperidin-3-yl}-N-methyl-2-(morpholin-4-yl)benzamide
• IUPAC Traditional name: N-{1-[(2-fluorophenyl)methyl]piperidin-3-yl}-N-methyl-2-(morpholin-4-yl)benzamide
• Synonyms: N-[1-(2-fluorobenzyl)-3-piperidinyl]-N-methyl-2-(4-morpholinyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.6632749
• LogD (pH = 7.4): 3.2343724
• Log P: 3.5121658
• Molar Refractivity: 118.4922 cm^3
• Polarizability: 44.56278 Å^3
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.83
• LOG S: -2.88
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 5