3-(2,5-dioxoimidazolidin-4-yl)-N-[1-(2-fluorophenyl)piperidin-4-yl]propanamide

• ChemBase ID: 485880
• Molecular Formular: C17H21FN4O3
• Molecular Mass: 348.3720432
• Monoisotopic Mass: 348.15976877
• SMILES: N1C(=O)NC(C1=O)CCC(=O)NC1CCN(c2c(F)cccc2)CC1
• Canonical SMILES: O=C(NC1CCN(CC1)c1ccccc1F)CCC1NC(=O)NC1=O
• InChI: InChI=1S/C17H21FN4O3/c18-12-3-1-2-4-14(12)22-9-7-11(8-10-22)19-15(23)6-5-13-16(24)21-17(25)20-13/h1-4,11,13H,5-10H2,(H,19,23)(H2,20,21,24,25)
• InChIKey: PKXBVVWVTRKQSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,5-dioxoimidazolidin-4-yl)-N-[1-(2-fluorophenyl)piperidin-4-yl]propanamide
• IUPAC Traditional name: 3-(2,5-dioxoimidazolidin-4-yl)-N-[1-(2-fluorophenyl)piperidin-4-yl]propanamide
• Synonyms: 3-(2,5-dioxo-4-imidazolidinyl)-N-[1-(2-fluorophenyl)-4-piperidinyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.637781
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.24269164
• LogD (pH = 7.4): 0.24027836
• Log P: 0.24275479
• Molar Refractivity: 89.2153 cm^3
• Polarizability: 33.675755 Å^3
• Polar Surface Area: 90.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: -0.01
• LOG S: -3.04
• Polar Surface Area: 90.54 Å^2
• Rotatable Bonds: 5