8DJ

5-[(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-N-[(pyridin-2-yl)methyl]benzamide



Chemical Component Summary

Name5-[(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-N-[(pyridin-2-yl)methyl]benzamide
Identifiers5-[(3~{S},4~{R})-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluoranyl-~{N}-(pyridin-2-ylmethyl)benzamide
FormulaC26 H26 F N3 O4
Molecular Weight463.501
TypeNON-POLYMER
Isomeric SMILESc1ccnc(c1)CNC(=O)c2cc(ccc2F)[C@@H]3CCNC[C@H]3COc4ccc5c(c4)OCO5
InChIInChI=1S/C26H26FN3O4/c27-23-6-4-17(11-22(23)26(31)30-14-19-3-1-2-9-29-19)21-8-10-28-13-18(21)15-32-20-5-7-24-25(12-20)34-16-33-24/h1-7,9,11-12,18,21,28H,8,10,13-16H2,(H,30,31)/t18-,21-/m0/s1
InChIKeyDXYYFJOVZVSYFY-RXVVDRJESA-N

Chemical Details

Formal Charge0
Atom Count60
Chiral Atom Count2
Bond Count64
Aromatic Bond Count18

Related Resource References

Resource NameReference
PubChem 124160646
ChEMBL CHEMBL4070885