4-[(6-Chloro-2-Naphthalenyl)Sulfonyl]-1-[[4-Hydroxymethyl-1-(4-Pyridinyl)-4-Piperidinyl]Methyl]Piperazinone

Molecule SVG Image

Properties Simple | Detailed

Formula C26H29ClN4O4S
IUPAC Name (4s)-4-[(6-chloro-2-naphthyl)sulfonyl]-1-[[4-(hydroxymethyl)-1-(4-pyridyl)-4-piperidyl]methyl]piperazin-2-one
Molecular Mass 529.051 g·mol−1
Heat of Formation -470.8 ± 16.7 kJ·mol−1
Dipole Moment 4.03 ± 1.08 D
Volume 592.34 Å 3
Surface Area 434.36 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy 1.68 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(6-chloronaphthalen-2-yl)sulfonyl-1-[[4-(hydroxymethyl)-1-pyridin-4-yl-piperidin-4-yl]methyl]piperazin-2-one
  • 4-(6-chloronaphthalen-2-yl)sulfonyl-1-[[4-(hydroxymethyl)-1-pyridin-4-ylpiperidin-4-yl]methyl]piperazin-2-one
  • 4-[(6-chloro-2-naphthyl)sulfonyl]-1-[[4-(hydroxymethyl)-1-(4-pyridyl)-4-piperidinyl]methyl]-2-piperazinone
  • 4-[(6-chloro-2-naphthyl)sulfonyl]-1-[[4-(hydroxymethyl)-1-(4-pyridyl)-4-piperidyl]methyl]piperazin-2-one
  • 4-[(6-chloro-2-naphthyl)sulfonyl]-1-[[4-methylol-1-(4-pyridyl)-4-piperidyl]methyl]piperazin-2-one
  • xmf
InChIKey ZRGAURKJCJQBQS-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C Cl H O N S