3-(4-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

C14H14N2O4 — CID 71518075

IUPAC3-(4-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C14H14N2O4/c1-20-10-4-2-3-8-7-16(14(19)12(8)10)9-5-6-11(17)15-13(9)18/h2-4,9H,5-7H2,1H3,(H,15,17,18)
InChIKeyWQBYRVHGTFSBTA-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.46
Rot. Bonds2

About 3-(4-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

3-(4-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (PubChem CID 71518075) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 3-(4-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(4-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
PubChem CID71518075
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name3-(4-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C14H14N2O4/c1-20-10-4-2-3-8-7-16(14(19)12(8)10)9-5-6-11(17)15-13(9)18/h2-4,9H,5-7H2,1H3,(H,15,17,18)
InChIKeyWQBYRVHGTFSBTA-UHFFFAOYSA-N
XLogP0.46
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Iberdomide
CID 67335295
4-Hydroxy thalidomide
CID 11778087
2-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]oxy}acetic acid
CID 25015436
3-(4-hydroxy-1-oxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione
CID 25015582
3-[7-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 53353229
3-[7-[[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 53353320
3-[3-oxo-7-[[4-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 53353322
3-[7-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 53353412
3-[3-oxo-7-[[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 53353508
3-[3-oxo-7-[[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 67332604
(+/-)-7-isopropoxy-1,3,4,10b-tetrahydropyrazino[2,1-a]isoindol-6(2H)-one
CID 11231392
(+/-)-7-hydroxy-1,3,4,10b-tetrahydropyrazino[2,1-a]isoindol-6(2H)-one
CID 11253485

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(4-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (CID 71518075) is 3-(4-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(4-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(4-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2.
What is the InChIKey of 3-(4-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The InChIKey is WQBYRVHGTFSBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-20-10-4-2-3-8-7-16(14(19)12(8)10)9-5-6-11(17)15-13(9)18/h2-4,9H,5-7H2,1H3,(H,15,17,18).
What are the key properties of 3-(4-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
3-(4-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione has a molecular weight of 274.28 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 71518075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).