3-[7-(1H-indol-7-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C21H17N3O3 — CID 166423087

IUPAC3-[7-(1H-indol-7-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3c(cccc3-c3cccc4cc[nH]c34)C2=O)C(=O)N1
InChIInChI=1S/C21H17N3O3/c25-18-8-7-17(20(26)23-18)24-11-16-13(4-2-6-15(16)21(24)27)14-5-1-3-12-9-10-22-19(12)14/h1-6,9-10,17,22H,7-8,11H2,(H,23,25,26)
InChIKeyZSBQSPSMZZPRTA-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.60
Rot. Bonds2

About 3-[7-(1H-indol-7-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[7-(1H-indol-7-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 166423087) has the molecular formula C21H17N3O3 and a molecular weight of 359.38 g/mol. Its IUPAC name is 3-[7-(1H-indol-7-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[7-(1H-indol-7-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID166423087
Molecular FormulaC21H17N3O3
Molecular Weight359.38 g/mol
Exact Mass359.13
IUPAC Name3-[7-(1H-indol-7-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3c(cccc3-c3cccc4cc[nH]c34)C2=O)C(=O)N1
InChIInChI=1S/C21H17N3O3/c25-18-8-7-17(20(26)23-18)24-11-16-13(4-2-6-15(16)21(24)27)14-5-1-3-12-9-10-22-19(12)14/h1-6,9-10,17,22H,7-8,11H2,(H,23,25,26)
InChIKeyZSBQSPSMZZPRTA-UHFFFAOYSA-N
XLogP2.60
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[7-(1H-indol-7-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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Related Compounds

3-[7-(7-fluoro-1H-indol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166423081
(3S)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 12044976
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 25135307
3-[7-(3-methylthiophen-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166416335
3-(7-cyclopentyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 146601936
3-[7-[(iodoamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162724516
3-[7-[4-(hydroxymethyl)phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167940424
3-[7-[4-(dimethylamino)phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166416351
3-[7-[4-(difluoromethyl)phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166416348
3-[3-oxo-7-(1,2,3,6-tetrahydropyridin-5-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166416358
methylazanium;3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155746155
3-[7-(aminomethylsulfonyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 69327564

Frequently Asked Questions

What is the IUPAC name of 3-[7-(1H-indol-7-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[7-(1H-indol-7-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 166423087) is 3-[7-(1H-indol-7-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[7-(1H-indol-7-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[7-(1H-indol-7-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3c(cccc3-c3cccc4cc[nH]c34)C2=O)C(=O)N1.
What is the InChIKey of 3-[7-(1H-indol-7-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is ZSBQSPSMZZPRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c25-18-8-7-17(20(26)23-18)24-11-16-13(4-2-6-15(16)21(24)27)14-5-1-3-12-9-10-22-19(12)14/h1-6,9-10,17,22H,7-8,11H2,(H,23,25,26).
What are the key properties of 3-[7-(1H-indol-7-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[7-(1H-indol-7-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 359.38 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(1H-indol-7-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 166423087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).