[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-(3-tert-butylphenyl)carbamate

C25H26FN3O5 — CID 166074333

IUPAC[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-(3-tert-butylphenyl)carbamate
SMILESCC(C)(C)c1cccc(NC(=O)OCc2cc(F)c3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)c1
InChIInChI=1S/C25H26FN3O5/c1-25(2,3)15-5-4-6-16(11-15)27-24(33)34-13-14-9-17-18(19(26)10-14)12-29(23(17)32)20-7-8-21(30)28-22(20)31/h4-6,9-11,20H,7-8,12-13H2,1-3H3,(H,27,33)(H,28,30,31)
InChIKeyXHHBJSVOGFLJIL-UHFFFAOYSA-N
MW467.50 g/mol
LogP3.63
Rot. Bonds4

About [2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-(3-tert-butylphenyl)carbamate

[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-(3-tert-butylphenyl)carbamate (PubChem CID 166074333) has the molecular formula C25H26FN3O5 and a molecular weight of 467.50 g/mol. Its IUPAC name is [2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-(3-tert-butylphenyl)carbamate.

Molecular Properties

Compound Name[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-(3-tert-butylphenyl)carbamate
PubChem CID166074333
Molecular FormulaC25H26FN3O5
Molecular Weight467.50 g/mol
Exact Mass467.19
IUPAC Name[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-(3-tert-butylphenyl)carbamate
SMILESCC(C)(C)c1cccc(NC(=O)OCc2cc(F)c3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)c1
InChIInChI=1S/C25H26FN3O5/c1-25(2,3)15-5-4-6-16(11-15)27-24(33)34-13-14-9-17-18(19(26)10-14)12-29(23(17)32)20-7-8-21(30)28-22(20)31/h4-6,9-11,20H,7-8,12-13H2,1-3H3,(H,27,33)(H,28,30,31)
InChIKeyXHHBJSVOGFLJIL-UHFFFAOYSA-N
XLogP3.63
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-(3-tert-butylphenyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2,6-dioxopiperidin-3-yl)-7-methoxy-3-oxo-1H-isoindol-5-yl]methyl N-(4-cyclobutylphenyl)carbamate
CID 166074243
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[3-(2,2-difluorocyclopropyl)oxyphenyl]carbamate
CID 164583893
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-(4-methylphenyl)carbamate
CID 164584202
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-(3,5-dimethylphenyl)carbamate
CID 164584178
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-pyridin-3-ylcarbamate
CID 166074247
[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
[2-(2,6-dioxopiperidin-3-yl)-7-methoxy-3-oxo-1H-isoindol-5-yl]methyl N-(5-methyl-6-phenyl-3-pyridinyl)carbamate
CID 166074291
tert-butyl N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate
CID 130441784
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-(2,2-difluoro-3H-1-benzofuran-5-yl)carbamate;ethane
CID 177223388
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[2-fluoro-3-(trifluoromethoxy)phenyl]carbamate
CID 164584206
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-(4-piperidin-1-ylphenyl)carbamate
CID 177223271
[2-[(3R)-2,6-dioxopiperidin-3-yl]-3-oxo-1H-isoindol-5-yl]methyl N-[2-fluoro-5-(trifluoromethoxy)phenyl]carbamate
CID 174303636

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-(3-tert-butylphenyl)carbamate?
The IUPAC name of [2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-(3-tert-butylphenyl)carbamate (CID 166074333) is [2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-(3-tert-butylphenyl)carbamate.
What is the SMILES notation for [2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-(3-tert-butylphenyl)carbamate?
The canonical SMILES for [2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-(3-tert-butylphenyl)carbamate is CC(C)(C)c1cccc(NC(=O)OCc2cc(F)c3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)c1.
What is the InChIKey of [2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-(3-tert-butylphenyl)carbamate?
The InChIKey is XHHBJSVOGFLJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O5/c1-25(2,3)15-5-4-6-16(11-15)27-24(33)34-13-14-9-17-18(19(26)10-14)12-29(23(17)32)20-7-8-21(30)28-22(20)31/h4-6,9-11,20H,7-8,12-13H2,1-3H3,(H,27,33)(H,28,30,31).
What are the key properties of [2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-(3-tert-butylphenyl)carbamate?
[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-(3-tert-butylphenyl)carbamate has a molecular weight of 467.50 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-(3-tert-butylphenyl)carbamate is sourced from PubChem (CID 166074333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).