4-[(6-Chloro-2-Naphthyl)Sulfonyl]-1-{[1-(4-Pyridinyl)-4-Piperidinyl]Methyl}-2-Piperazinone

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Properties Simple | Detailed

Formula C25H27ClN4O3S
IUPAC Name (4r)-4-[(6-chloro-2-naphthyl)sulfonyl]-1-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazin-2-one
Molecular Mass 499.025 g·mol−1
Heat of Formation -258.2 ± 16.7 kJ·mol−1
Dipole Moment 7.15 ± 1.08 D
Volume 564.02 Å 3
Surface Area 459.09 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -1.84 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(6-chloronaphthalen-2-yl)sulfonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-2-one
  • 4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[[1-(4-pyridinyl)-4-piperidinyl]methyl]piperazinone
  • 4-[(6-chloro-2-naphthyl)sulfonyl]-1-[[1-(4-pyridyl)-4-piperidinyl]methyl]-2-piperazinone
  • 4-[(6-chloro-2-naphthyl)sulfonyl]-1-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazin-2-one
  • xmi
InChIKey BKWIJYNQPXKNMH-UHFFFAOYSA-N
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