(3S)-3-[(3R)-3-methoxy-8-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-7-yl]piperidine-2,6-dione

C16H16N2O6 — CID 170927590

IUPAC(3S)-3-[(3R)-3-methoxy-8-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-7-yl]piperidine-2,6-dione
SMILESCO[C@H]1COc2cc3c(cc2O1)CN([C@H]1CCC(=O)NC1=O)C3=O
InChIInChI=1S/C16H16N2O6/c1-22-14-7-23-11-5-9-8(4-12(11)24-14)6-18(16(9)21)10-2-3-13(19)17-15(10)20/h4-5,10,14H,2-3,6-7H2,1H3,(H,17,19,20)/t10-,14+/m0/s1
InChIKeyRUPNVEHBAFQGTO-IINYFYTJSA-N
MW332.31 g/mol
LogP0.19
Rot. Bonds2

About (3S)-3-[(3R)-3-methoxy-8-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-7-yl]piperidine-2,6-dione

(3S)-3-[(3R)-3-methoxy-8-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-7-yl]piperidine-2,6-dione (PubChem CID 170927590) has the molecular formula C16H16N2O6 and a molecular weight of 332.31 g/mol. Its IUPAC name is (3S)-3-[(3R)-3-methoxy-8-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-7-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name(3S)-3-[(3R)-3-methoxy-8-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-7-yl]piperidine-2,6-dione
PubChem CID170927590
Molecular FormulaC16H16N2O6
Molecular Weight332.31 g/mol
Exact Mass332.10
IUPAC Name(3S)-3-[(3R)-3-methoxy-8-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-7-yl]piperidine-2,6-dione
SMILESCO[C@H]1COc2cc3c(cc2O1)CN([C@H]1CCC(=O)NC1=O)C3=O
InChIInChI=1S/C16H16N2O6/c1-22-14-7-23-11-5-9-8(4-12(11)24-14)6-18(16(9)21)10-2-3-13(19)17-15(10)20/h4-5,10,14H,2-3,6-7H2,1H3,(H,17,19,20)/t10-,14+/m0/s1
InChIKeyRUPNVEHBAFQGTO-IINYFYTJSA-N
XLogP0.19
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3S)-3-[(3R)-3-methoxy-8-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-7-yl]piperidine-2,6-dione with MolForge

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Related Compounds

(3S)-3-[(3R)-3-(hydroxymethyl)-6-oxo-3,8-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-7-yl]piperidine-2,6-dione
CID 170927559
3-(5-methyl-13-oxo-9-oxa-2,5,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,16-trien-14-yl)piperidine-2,6-dione
CID 170728983
3-(8-oxo-2,3,4,6-tetrahydropyrrolo[3,4-g][1,4]benzoxazin-7-yl)piperidine-2,6-dione
CID 156805959
3-[5-(dimethylamino)-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155296849
(3S)-3-(6-oxospiro[4,8-dihydro-3H-pyrano[3,2-f]isoindole-2,3'-azetidine]-7-yl)piperidine-2,6-dione
CID 170927699
methyl 2-(2,6-dioxopiperidin-3-yl)-6-(hydroxymethyl)-1-oxo-3H-isoindole-5-carboxylate
CID 171588190
3-(7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl)piperidine-2,6-dione
CID 169202856
methyl 2-(2,6-dioxopiperidin-3-yl)-6-formyl-3-oxo-1H-isoindole-5-carboxylate
CID 164919984
(3S)-3-(6-oxospiro[4,8-dihydro-3H-pyrrolo[3,4-g][1,4]benzoxazine-2,3'-azetidine]-7-yl)piperidine-2,6-dione
CID 170927648
ethane;3-(5-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155599247
(3S)-3-(3-oxo-5,6,7,8-tetrahydro-1H-pyrrolo[3,4-g]isoquinolin-2-yl)piperidine-2,6-dione
CID 164919945
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] hypoiodite
CID 146411045

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(3R)-3-methoxy-8-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-7-yl]piperidine-2,6-dione?
The IUPAC name of (3S)-3-[(3R)-3-methoxy-8-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-7-yl]piperidine-2,6-dione (CID 170927590) is (3S)-3-[(3R)-3-methoxy-8-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-7-yl]piperidine-2,6-dione.
What is the SMILES notation for (3S)-3-[(3R)-3-methoxy-8-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-7-yl]piperidine-2,6-dione?
The canonical SMILES for (3S)-3-[(3R)-3-methoxy-8-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-7-yl]piperidine-2,6-dione is CO[C@H]1COc2cc3c(cc2O1)CN([C@H]1CCC(=O)NC1=O)C3=O.
What is the InChIKey of (3S)-3-[(3R)-3-methoxy-8-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-7-yl]piperidine-2,6-dione?
The InChIKey is RUPNVEHBAFQGTO-IINYFYTJSA-N. The full InChI is InChI=1S/C16H16N2O6/c1-22-14-7-23-11-5-9-8(4-12(11)24-14)6-18(16(9)21)10-2-3-13(19)17-15(10)20/h4-5,10,14H,2-3,6-7H2,1H3,(H,17,19,20)/t10-,14+/m0/s1.
What are the key properties of (3S)-3-[(3R)-3-methoxy-8-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-7-yl]piperidine-2,6-dione?
(3S)-3-[(3R)-3-methoxy-8-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-7-yl]piperidine-2,6-dione has a molecular weight of 332.31 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(3R)-3-methoxy-8-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-7-yl]piperidine-2,6-dione is sourced from PubChem (CID 170927590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).