Daporinad

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Properties Simple | Detailed

Formula C24H29N3O2
IUPAC Name (e)-n-[4-(1-benzoyl-4-piperidyl)butyl]-3-(3-pyridyl)prop-2-enamide
Molecular Mass 391.506 g·mol−1
Heat of Formation -159.0 ± 16.7 kJ·mol−1
Dipole Moment 2.11 ± 1.08 D
Volume 497.13 Å 3
Surface Area 446.13 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-n-[4-(1-phenylcarbonylpiperidin-4-yl)butyl]-3-pyridin-3-yl-prop-2-enamide
  • (e)-n-[4-[1-(benzoyl)-4-piperidyl]butyl]-3-(3-pyridyl)acrylamide
  • (e)-n-[4-[1-(benzoyl)-4-piperidyl]butyl]-3-(3-pyridyl)prop-2-enamide
  • (e)-n-[4-[1-(benzoyl)piperidin-4-yl]butyl]-3-pyridin-3-ylprop-2-enamide
  • (e)-n-[4-[1-(oxo-phenylmethyl)-4-piperidinyl]butyl]-3-(3-pyridyl)prop-2-enamide
  • dgb
InChIKey KPBNHDGDUADAGP-VAWYXSNFSA-N
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