3-(3-methylindol-1-yl)piperidine-2,6-dione

C14H14N2O2 — CID 138467080

IUPAC3-(3-methylindol-1-yl)piperidine-2,6-dione
SMILESCc1cn(C2CCC(=O)NC2=O)c2ccccc12
InChIInChI=1S/C14H14N2O2/c1-9-8-16(11-5-3-2-4-10(9)11)12-6-7-13(17)15-14(12)18/h2-5,8,12H,6-7H2,1H3,(H,15,17,18)
InChIKeyUBQKEUOLEQXJMB-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.93
Rot. Bonds1

About 3-(3-methylindol-1-yl)piperidine-2,6-dione

3-(3-methylindol-1-yl)piperidine-2,6-dione (PubChem CID 138467080) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 3-(3-methylindol-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(3-methylindol-1-yl)piperidine-2,6-dione
PubChem CID138467080
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name3-(3-methylindol-1-yl)piperidine-2,6-dione
SMILESCc1cn(C2CCC(=O)NC2=O)c2ccccc12
InChIInChI=1S/C14H14N2O2/c1-9-8-16(11-5-3-2-4-10(9)11)12-6-7-13(17)15-14(12)18/h2-5,8,12H,6-7H2,1H3,(H,15,17,18)
InChIKeyUBQKEUOLEQXJMB-UHFFFAOYSA-N
XLogP1.93
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methylindol-1-yl)piperidine-2,6-dione
CID 167418675
3-(4-bromo-1-oxoisoquinolin-2-yl)piperidine-2,6-dione
CID 175556384
3-(4-fluoro-3-methyl-5-propan-2-ylindol-1-yl)piperidine-2,6-dione
CID 170953295
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
(3S)-3-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 166733310
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
3-(5-methylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
CID 142616477
3-(4-bromo-3-methylindazol-1-yl)piperidine-2,6-dione
CID 164596403
ethane;3-(5-methylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
CID 156795243
3-(3-cyclopropyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 138496531

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylindol-1-yl)piperidine-2,6-dione?
The IUPAC name of 3-(3-methylindol-1-yl)piperidine-2,6-dione (CID 138467080) is 3-(3-methylindol-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(3-methylindol-1-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(3-methylindol-1-yl)piperidine-2,6-dione is Cc1cn(C2CCC(=O)NC2=O)c2ccccc12.
What is the InChIKey of 3-(3-methylindol-1-yl)piperidine-2,6-dione?
The InChIKey is UBQKEUOLEQXJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-9-8-16(11-5-3-2-4-10(9)11)12-6-7-13(17)15-14(12)18/h2-5,8,12H,6-7H2,1H3,(H,15,17,18).
What are the key properties of 3-(3-methylindol-1-yl)piperidine-2,6-dione?
3-(3-methylindol-1-yl)piperidine-2,6-dione has a molecular weight of 242.28 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylindol-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 138467080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).