4-methyl-2-[(6Z)-2-oxo-6-(1,4,7-trioxacyclotridec-10-ylidene)piperidin-3-yl]-5,6-dihydroisoindole-1,3-dione

C24H32N2O6 — CID 174113283

IUPAC4-methyl-2-[(6Z)-2-oxo-6-(1,4,7-trioxacyclotridec-10-ylidene)piperidin-3-yl]-5,6-dihydroisoindole-1,3-dione
SMILESCC1=C2C(=O)N(C3CC/C(=C4\CCCOCCOCCOCC4)NC3=O)C(=O)C2=CCC1
InChIInChI=1S/C24H32N2O6/c1-16-4-2-6-18-21(16)24(29)26(23(18)28)20-8-7-19(25-22(20)27)17-5-3-10-30-12-14-32-15-13-31-11-9-17/h6,20H,2-5,7-15H2,1H3,(H,25,27)/b19-17-
InChIKeyRISISBYSADCLOV-ZPHPHTNESA-N
MW444.53 g/mol
LogP2.16
Rot. Bonds1

About 4-methyl-2-[(6Z)-2-oxo-6-(1,4,7-trioxacyclotridec-10-ylidene)piperidin-3-yl]-5,6-dihydroisoindole-1,3-dione

4-methyl-2-[(6Z)-2-oxo-6-(1,4,7-trioxacyclotridec-10-ylidene)piperidin-3-yl]-5,6-dihydroisoindole-1,3-dione (PubChem CID 174113283) has the molecular formula C24H32N2O6 and a molecular weight of 444.53 g/mol. Its IUPAC name is 4-methyl-2-[(6Z)-2-oxo-6-(1,4,7-trioxacyclotridec-10-ylidene)piperidin-3-yl]-5,6-dihydroisoindole-1,3-dione.

Molecular Properties

Compound Name4-methyl-2-[(6Z)-2-oxo-6-(1,4,7-trioxacyclotridec-10-ylidene)piperidin-3-yl]-5,6-dihydroisoindole-1,3-dione
PubChem CID174113283
Molecular FormulaC24H32N2O6
Molecular Weight444.53 g/mol
Exact Mass444.23
IUPAC Name4-methyl-2-[(6Z)-2-oxo-6-(1,4,7-trioxacyclotridec-10-ylidene)piperidin-3-yl]-5,6-dihydroisoindole-1,3-dione
SMILESCC1=C2C(=O)N(C3CC/C(=C4\CCCOCCOCCOCC4)NC3=O)C(=O)C2=CCC1
InChIInChI=1S/C24H32N2O6/c1-16-4-2-6-18-21(16)24(29)26(23(18)28)20-8-7-19(25-22(20)27)17-5-3-10-30-12-14-32-15-13-31-11-9-17/h6,20H,2-5,7-15H2,1H3,(H,25,27)/b19-17-
InChIKeyRISISBYSADCLOV-ZPHPHTNESA-N
XLogP2.16
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-methyl-2-[(6Z)-2-oxo-6-(1,4,7-trioxacyclotridec-10-ylidene)piperidin-3-yl]-5,6-dihydroisoindole-1,3-dione with MolForge

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-7-hydroxy-4,5-dihydroisoindole-1,3-dione
CID 163373811
4-(2,6-dioxopiperidin-3-yl)-1a,6a-dihydrooxireno[2,3-f]isoindole-3,5-dione
CID 88553247
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
2-(2,6-dioxopiperidin-3-yl)-6-methyl-6,7-dihydro-5H-cyclopenta[f]isoindole-1,3-dione
CID 170402784
3-(7-methoxy-1-oxo-3,4,5,6,8,9-hexahydro-2-benzazocin-2-yl)piperidine-2,6-dione
CID 171847104
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
2-(2,6-dioxopiperidin-3-yl)-7-[2-[2-[methyl-[2-(methylamino)ethyl]amino]ethoxy]ethoxy]-4,5-dihydroisoindole-1,3-dione
CID 156820660
7-(5-aminopentyl)-2-(2,6-dioxopiperidin-3-yl)-4,5-dihydroisoindole-1,3-dione
CID 165055893
2-[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]isoindole-1,3-dione
CID 92977923
2-(2,6-dioxopiperidin-3-yl)-6-fluoro-4-methylisoindole-1,3-dione
CID 131999739

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(6Z)-2-oxo-6-(1,4,7-trioxacyclotridec-10-ylidene)piperidin-3-yl]-5,6-dihydroisoindole-1,3-dione?
The IUPAC name of 4-methyl-2-[(6Z)-2-oxo-6-(1,4,7-trioxacyclotridec-10-ylidene)piperidin-3-yl]-5,6-dihydroisoindole-1,3-dione (CID 174113283) is 4-methyl-2-[(6Z)-2-oxo-6-(1,4,7-trioxacyclotridec-10-ylidene)piperidin-3-yl]-5,6-dihydroisoindole-1,3-dione.
What is the SMILES notation for 4-methyl-2-[(6Z)-2-oxo-6-(1,4,7-trioxacyclotridec-10-ylidene)piperidin-3-yl]-5,6-dihydroisoindole-1,3-dione?
The canonical SMILES for 4-methyl-2-[(6Z)-2-oxo-6-(1,4,7-trioxacyclotridec-10-ylidene)piperidin-3-yl]-5,6-dihydroisoindole-1,3-dione is CC1=C2C(=O)N(C3CC/C(=C4\CCCOCCOCCOCC4)NC3=O)C(=O)C2=CCC1.
What is the InChIKey of 4-methyl-2-[(6Z)-2-oxo-6-(1,4,7-trioxacyclotridec-10-ylidene)piperidin-3-yl]-5,6-dihydroisoindole-1,3-dione?
The InChIKey is RISISBYSADCLOV-ZPHPHTNESA-N. The full InChI is InChI=1S/C24H32N2O6/c1-16-4-2-6-18-21(16)24(29)26(23(18)28)20-8-7-19(25-22(20)27)17-5-3-10-30-12-14-32-15-13-31-11-9-17/h6,20H,2-5,7-15H2,1H3,(H,25,27)/b19-17-.
What are the key properties of 4-methyl-2-[(6Z)-2-oxo-6-(1,4,7-trioxacyclotridec-10-ylidene)piperidin-3-yl]-5,6-dihydroisoindole-1,3-dione?
4-methyl-2-[(6Z)-2-oxo-6-(1,4,7-trioxacyclotridec-10-ylidene)piperidin-3-yl]-5,6-dihydroisoindole-1,3-dione has a molecular weight of 444.53 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(6Z)-2-oxo-6-(1,4,7-trioxacyclotridec-10-ylidene)piperidin-3-yl]-5,6-dihydroisoindole-1,3-dione is sourced from PubChem (CID 174113283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).