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

Molecule SVG Image

Properties Simple | Detailed

Formula C30H34ClN5O5S
IUPAC Name (4s,6r)-4-[(6-chloro-2-naphthyl)sulfonyl]-6-(morpholine-4-carbonyl)-1-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazin-2-one
Molecular Mass 612.139 g·mol−1
Heat of Formation -588.2 ± 16.7 kJ·mol−1
Dipole Moment 6.13 ± 1.08 D
Volume 689.04 Å 3
Surface Area 524.98 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -1.96 ± eV
Point Group Symmetry C1
Synonyms
  • (6r)-4-(6-chloronaphthalen-2-yl)sulfonyl-6-(morpholine-4-carbonyl)-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-2-one
  • (6r)-4-(6-chloronaphthalen-2-yl)sulfonyl-6-morpholin-4-ylcarbonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-2-one
  • (6r)-4-[(6-chloro-2-naphthyl)sulfonyl]-6-(morpholine-4-carbonyl)-1-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazin-2-one
  • (6r)-4-[(6-chloro-2-naphthyl)sulfonyl]-6-(morpholino-oxomethyl)-1-[[1-(4-pyridyl)-4-piperidinyl]methyl]-2-piperazinone
  • 4-[[4-[(6-chloro-2-naphthalenyl)sulfonyl]-6-oxo-1-[[1-(4-pyridinyl)-4-piperidinyl]methyl]-2-piperazinyl]carbonyl]morpholine
InChIKey CJERKHNRUGRCIY-MUUNZHRXSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C Cl H O N S