5-({(2S)-1-[(2R)-4-Benzoyl-2-Methyl-1-Piperazinyl]-1-Oxo-2-Propanyl}Oxy)-4-Methoxy-N-Methyl-2-Pyridinecarboxamide

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Properties Simple | Detailed

Formula C23H28N4O5
IUPAC Name 5-[(1s)-2-[(2r)-4-benzoyl-2-methyl-piperazin-1-yl]-1-methyl-2-oxo-ethoxy]-4-methoxy-n-methyl-pyridine-2-carboxamide
Molecular Mass 440.492 g·mol−1
Heat of Formation -627.6 ± 16.7 kJ·mol−1
Dipole Moment 5.19 ± 1.08 D
Volume 525.79 Å 3
Surface Area 415.66 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy 2.19 ± eV
Point Group Symmetry C1
Synonyms
  • 4-methoxy-n-methyl-5-[(1s)-1-methyl-2-[(2r)-2-methyl-4-(oxo-phenylmethyl)-1-piperazinyl]-2-oxoethoxy]-2-pyridinecarboxamide
  • 4-methoxy-n-methyl-5-[(2s)-1-[(2r)-2-methyl-4-phenylcarbonyl-piperazin-1-yl]-1-oxo-propan-2-yl]oxy-pyridine-2-carboxamide
  • 5-[(1s)-2-[(2r)-4-(benzoyl)-2-methyl-piperazin-1-yl]-1-methyl-2-oxo-ethoxy]-4-methoxy-n-methyl-pyridine-2-carboxamide
  • 5-[(1s)-2-[(2r)-4-(benzoyl)-2-methyl-piperazin-1-yl]-2-keto-1-methyl-ethoxy]-4-methoxy-n-methyl-picolinamide
  • 5-[(2s)-1-[(2r)-4-(benzoyl)-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-4-methoxy-n-methylpyridine-2-carboxamide
InChIKey KVDRFBPETGPOMO-CVEARBPZSA-N
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