2-(3-Chloro-6-{[2,2-Difluoro-2-(1-Hydroxy-2-Piperidinyl)Ethyl]Amino}-1-Hydroxy-2-Piperidinyl)-N-[1-(3-Chlorophenyl)Ethyl]Acetamide

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Properties Simple | Detailed

Formula C22H32Cl2F2N4O3
IUPAC Name 2-[(1s,2s,3r,6s)-3-chloro-6-[[2,2-difluoro-2-[(1r,2r)-1-hydroxy-2-piperidyl]ethyl]amino]-1-hydroxy-2-piperidyl]-n-[(1r)-1-(3-chlorophenyl)ethyl]acetamide
Molecular Mass 509.417 g·mol−1
Heat of Formation -933.4 ± 16.7 kJ·mol−1
Dipole Moment 4.67 ± 1.08 D
Volume 576.4 Å 3
Surface Area 424.79 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy 2.72 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[3-chloro-6-[[2,2-difluoro-2-(1-hydroxy-2-piperidinyl)ethyl]amino]-1-hydroxy-2-piperidinyl]-n-[(1r)-1-(3-chlorophenyl)ethyl]acetamide
  • 2-[3-chloro-6-[[2,2-difluoro-2-(1-hydroxy-2-piperidyl)ethyl]amino]-1-hydroxy-2-piperidyl]-n-[(1r)-1-(3-chlorophenyl)ethyl]acetamide
  • 2-[3-chloro-6-[[2,2-difluoro-2-(1-hydroxypiperidin-2-yl)ethyl]amino]-1-hydroxy-piperidin-2-yl]-n-[(1r)-1-(3-chlorophenyl)ethyl]ethanamide
  • 2-[3-chloro-6-[[2,2-difluoro-2-(1-hydroxypiperidin-2-yl)ethyl]amino]-1-hydroxypiperidin-2-yl]-n-[(1r)-1-(3-chlorophenyl)ethyl]acetamide
InChIKey DSHKHCPRBRTWIO-RANJNGMFSA-N
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Elements C F H Cl O N