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

C14H14N2O4 — CID 71518074

IUPAC3-(6-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESCOc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C14H14N2O4/c1-20-9-2-3-10-8(6-9)7-16(14(10)19)11-4-5-12(17)15-13(11)18/h2-3,6,11H,4-5,7H2,1H3,(H,15,17,18)
InChIKeyUCRSTLCVZRQISL-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.46
Rot. Bonds2

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

3-(6-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (PubChem CID 71518074) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 3-(6-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(6-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
PubChem CID71518074
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name3-(6-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESCOc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C14H14N2O4/c1-20-9-2-3-10-8(6-9)7-16(14(10)19)11-4-5-12(17)15-13(11)18/h2-3,6,11H,4-5,7H2,1H3,(H,15,17,18)
InChIKeyUCRSTLCVZRQISL-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'}

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

5-Hydroxythalidomide
CID 5743568
(S)-2-(2,6-Dioxopiperidin-3-yl)-5-hydroxyisoindoline-1,3-dione
CID 44250311
(R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-((4-methoxyphenyl)ethynyl)imidazolidine-2,4-dione
CID 52947338
(R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(phenylethynyl)imidazolidine-2,4-dione
CID 52948549
3-[7-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 53353412
3-[6-[[(2R)-1-[[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156500837
3-[6-[[(2R)-1-[(4-tert-butylphenyl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156501107
3-(5-hydroxy-1-oxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione
CID 71517902
3-(6-hydroxy-1-oxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione
CID 71517903
2-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-isoindole-1,3(2H)-dione
CID 2815658
(+/-)-7-isopropoxy-1,3,4,10b-tetrahydropyrazino[2,1-a]isoindol-6(2H)-one
CID 11231392
(+/-)-1,3,4,10b-tetrahydro-7-methoxy-pyrazino[2,1-a]isoindol-6(2H)-one
CID 11290492

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(6-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (CID 71518074) is 3-(6-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(6-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(6-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is COc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 3-(6-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The InChIKey is UCRSTLCVZRQISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-20-9-2-3-10-8(6-9)7-16(14(10)19)11-4-5-12(17)15-13(11)18/h2-3,6,11H,4-5,7H2,1H3,(H,15,17,18).
What are the key properties of 3-(6-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
3-(6-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-(6-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 71518074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).