[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(5-tert-butyl-2-fluorophenyl)-N-methylcarbamate

C25H26FN3O5 — CID 169322812

IUPAC[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(5-tert-butyl-2-fluorophenyl)-N-methylcarbamate
SMILESCN(C(=O)Oc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2)c1cc(C(C)(C)C)ccc1F
InChIInChI=1S/C25H26FN3O5/c1-25(2,3)15-6-8-18(26)20(11-15)28(4)24(33)34-16-7-5-14-13-29(23(32)17(14)12-16)19-9-10-21(30)27-22(19)31/h5-8,11-12,19H,9-10,13H2,1-4H3,(H,27,30,31)
InChIKeyFJAFOQASPDVEHO-UHFFFAOYSA-N
MW467.50 g/mol
LogP3.52
Rot. Bonds3

About [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(5-tert-butyl-2-fluorophenyl)-N-methylcarbamate

[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(5-tert-butyl-2-fluorophenyl)-N-methylcarbamate (PubChem CID 169322812) has the molecular formula C25H26FN3O5 and a molecular weight of 467.50 g/mol. Its IUPAC name is [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(5-tert-butyl-2-fluorophenyl)-N-methylcarbamate.

Molecular Properties

Compound Name[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(5-tert-butyl-2-fluorophenyl)-N-methylcarbamate
PubChem CID169322812
Molecular FormulaC25H26FN3O5
Molecular Weight467.50 g/mol
Exact Mass467.19
IUPAC Name[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(5-tert-butyl-2-fluorophenyl)-N-methylcarbamate
SMILESCN(C(=O)Oc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2)c1cc(C(C)(C)C)ccc1F
InChIInChI=1S/C25H26FN3O5/c1-25(2,3)15-6-8-18(26)20(11-15)28(4)24(33)34-16-7-5-14-13-29(23(32)17(14)12-16)19-9-10-21(30)27-22(19)31/h5-8,11-12,19H,9-10,13H2,1-4H3,(H,27,30,31)
InChIKeyFJAFOQASPDVEHO-UHFFFAOYSA-N
XLogP3.52
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(3-fluoro-4-methylphenyl)-N-methylcarbamate
CID 170781368
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl]-N-methylcarbamate
CID 172555134
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(2-tert-butyl-4-pyridinyl)-N-methylcarbamate
CID 169322774
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(1'-cyclopropyl-6'-fluoro-2'-oxospiro[cyclobutane-1,3'-indole]-5'-yl)-N-methylcarbamate
CID 178070342
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(1'-cyclobutyl-6'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl)-N-methylcarbamate
CID 178070333
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(2-fluoro-4-pyridin-2-ylphenyl)-N-methylcarbamate
CID 170781353
3-[5-(dimethylamino)-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155296849
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] hypoiodite
CID 146411045
N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-2,2-dimethylpropanamide
CID 166410779
[3-[[[2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-4-yl]amino]methyl]-4-fluorophenyl] N,N-dimethylcarbamate
CID 121314573
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[2-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]carbamate
CID 164584017
ethane;3-(5-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155599247

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(5-tert-butyl-2-fluorophenyl)-N-methylcarbamate?
The IUPAC name of [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(5-tert-butyl-2-fluorophenyl)-N-methylcarbamate (CID 169322812) is [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(5-tert-butyl-2-fluorophenyl)-N-methylcarbamate.
What is the SMILES notation for [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(5-tert-butyl-2-fluorophenyl)-N-methylcarbamate?
The canonical SMILES for [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(5-tert-butyl-2-fluorophenyl)-N-methylcarbamate is CN(C(=O)Oc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2)c1cc(C(C)(C)C)ccc1F.
What is the InChIKey of [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(5-tert-butyl-2-fluorophenyl)-N-methylcarbamate?
The InChIKey is FJAFOQASPDVEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O5/c1-25(2,3)15-6-8-18(26)20(11-15)28(4)24(33)34-16-7-5-14-13-29(23(32)17(14)12-16)19-9-10-21(30)27-22(19)31/h5-8,11-12,19H,9-10,13H2,1-4H3,(H,27,30,31).
What are the key properties of [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(5-tert-butyl-2-fluorophenyl)-N-methylcarbamate?
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(5-tert-butyl-2-fluorophenyl)-N-methylcarbamate has a molecular weight of 467.50 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] N-(5-tert-butyl-2-fluorophenyl)-N-methylcarbamate is sourced from PubChem (CID 169322812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).