2-(2,6-dioxopiperidin-3-yl)-N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1,3-dioxoisoindole-5-carboxamide

C23H18FN3O7 — CID 166426895

IUPAC2-(2,6-dioxopiperidin-3-yl)-N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1,3-dioxoisoindole-5-carboxamide
SMILESO=C1CCC(N2C(=O)c3ccc(C(=O)NCc4cc(F)cc5c4OCOC5)cc3C2=O)C(=O)N1
InChIInChI=1S/C23H18FN3O7/c24-14-5-12(19-13(6-14)9-33-10-34-19)8-25-20(29)11-1-2-15-16(7-11)23(32)27(22(15)31)17-3-4-18(28)26-21(17)30/h1-2,5-7,17H,3-4,8-10H2,(H,25,29)(H,26,28,30)
InChIKeyJNAVMOBSUPBIDD-UHFFFAOYSA-N
MW467.41 g/mol
LogP1.02
Rot. Bonds4

About 2-(2,6-dioxopiperidin-3-yl)-N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1,3-dioxoisoindole-5-carboxamide

2-(2,6-dioxopiperidin-3-yl)-N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 166426895) has the molecular formula C23H18FN3O7 and a molecular weight of 467.41 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID166426895
Molecular FormulaC23H18FN3O7
Molecular Weight467.41 g/mol
Exact Mass467.11
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1,3-dioxoisoindole-5-carboxamide
SMILESO=C1CCC(N2C(=O)c3ccc(C(=O)NCc4cc(F)cc5c4OCOC5)cc3C2=O)C(=O)N1
InChIInChI=1S/C23H18FN3O7/c24-14-5-12(19-13(6-14)9-33-10-34-19)8-25-20(29)11-1-2-15-16(7-11)23(32)27(22(15)31)17-3-4-18(28)26-21(17)30/h1-2,5-7,17H,3-4,8-10H2,(H,25,29)(H,26,28,30)
InChIKeyJNAVMOBSUPBIDD-UHFFFAOYSA-N
XLogP1.02
TPSA131.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.41
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-N-(2-methylprop-2-enyl)-1,3-dioxoisoindole-5-carboxamide
CID 166426897
N-(3-aminopropyl)-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 166000888
N-[(4-tert-butyl-1,2-oxazol-3-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxamide
CID 166426954
2-(2,6-dioxopiperidin-3-yl)-N-[(1-ethylcyclopentyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 166426918
4-acetyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]benzamide
CID 71122531
4-tert-butyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]benzamide
CID 24788307
2-(2,6-dioxopiperidin-3-yl)-N-[[5-[[(2-naphthalen-1-ylacetyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-1,3-dioxoisoindole-5-carboxamide
CID 167275814
2-(2,6-dioxopiperidin-3-yl)-N-[[4-[[(2-naphthalen-1-ylacetyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-1,3-dioxoisoindole-5-carboxamide
CID 167275648
4-[[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]amino]methyl]-N-ethylbenzamide
CID 167088474
2-(2,6-dioxopiperidin-3-yl)-N-[[4-[[methyl(2-pyrido[2,3-b]indol-9-ylethyl)amino]methyl]phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide
CID 167274976
N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxamide
CID 172937040
N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]-4-(hydroxymethyl)benzamide
CID 71213468

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1,3-dioxoisoindole-5-carboxamide (CID 166426895) is 2-(2,6-dioxopiperidin-3-yl)-N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1,3-dioxoisoindole-5-carboxamide is O=C1CCC(N2C(=O)c3ccc(C(=O)NCc4cc(F)cc5c4OCOC5)cc3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is JNAVMOBSUPBIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O7/c24-14-5-12(19-13(6-14)9-33-10-34-19)8-25-20(29)11-1-2-15-16(7-11)23(32)27(22(15)31)17-3-4-18(28)26-21(17)30/h1-2,5-7,17H,3-4,8-10H2,(H,25,29)(H,26,28,30).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1,3-dioxoisoindole-5-carboxamide?
2-(2,6-dioxopiperidin-3-yl)-N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 467.41 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 166426895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).