N-[(2R)-1-(4-{3-[4-(Cyclopropylcarbonyl)Phenoxy]Propyl}-1-Piperazinyl)-1-Oxo-2-Propanyl]-2-Furamide

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Properties Simple | Detailed

Formula C25H31N3O5
IUPAC Name n-[(1r)-2-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-1-methyl-2-oxo-ethyl]-3h-furan-1-ium-3-ide-5-carboxamide
Molecular Mass 453.531 g·mol−1
Heat of Formation 110.6 ± 16.7 kJ·mol−1
Dipole Moment 2.77 ± 1.08 D
Volume 552.7 Å 3
Surface Area 490.25 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -2.35 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(1r)-2-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-1-methyl-2-oxo-ethyl]furan-2-carboxamide
  • n-[(1r)-2-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-2-keto-1-methyl-ethyl]-2-furamide
  • n-[(1r)-2-[4-[3-[4-(cyclopropyl-oxomethyl)phenoxy]propyl]-1-piperazinyl]-1-methyl-2-oxoethyl]-2-furancarboxamide
  • n-[(2r)-1-[4-[3-(4-cyclopropylcarbonylphenoxy)propyl]piperazin-1-yl]-1-oxo-propan-2-yl]furan-2-carboxamide
  • n-[(2r)-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
InChIKey RTRADBQSZJIRMT-GOSISDBHSA-N
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