3-[5-(2,2-dimethylpropyl)-2-oxo-3H-indol-1-yl]piperidine-2,6-dione

C18H22N2O3 — CID 162504449

IUPAC3-[5-(2,2-dimethylpropyl)-2-oxo-3H-indol-1-yl]piperidine-2,6-dione
SMILESCC(C)(C)Cc1ccc2c(c1)CC(=O)N2C1CCC(=O)NC1=O
InChIInChI=1S/C18H22N2O3/c1-18(2,3)10-11-4-5-13-12(8-11)9-16(22)20(13)14-6-7-15(21)19-17(14)23/h4-5,8,14H,6-7,9-10H2,1-3H3,(H,19,21,23)
InChIKeyXBNFLQYHDOLMEX-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.97
Rot. Bonds2

About 3-[5-(2,2-dimethylpropyl)-2-oxo-3H-indol-1-yl]piperidine-2,6-dione

3-[5-(2,2-dimethylpropyl)-2-oxo-3H-indol-1-yl]piperidine-2,6-dione (PubChem CID 162504449) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 3-[5-(2,2-dimethylpropyl)-2-oxo-3H-indol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-(2,2-dimethylpropyl)-2-oxo-3H-indol-1-yl]piperidine-2,6-dione
PubChem CID162504449
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name3-[5-(2,2-dimethylpropyl)-2-oxo-3H-indol-1-yl]piperidine-2,6-dione
SMILESCC(C)(C)Cc1ccc2c(c1)CC(=O)N2C1CCC(=O)NC1=O
InChIInChI=1S/C18H22N2O3/c1-18(2,3)10-11-4-5-13-12(8-11)9-16(22)20(13)14-6-7-15(21)19-17(14)23/h4-5,8,14H,6-7,9-10H2,1-3H3,(H,19,21,23)
InChIKeyXBNFLQYHDOLMEX-UHFFFAOYSA-N
XLogP1.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.97
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-(6-ethyl-3,4-dihydro-2H-quinolin-1-yl)piperidine-2,6-dione
CID 170614731
3-(2'-oxo-5'-propylspiro[cyclopropane-1,3'-indole]-1'-yl)piperidine-2,6-dione
CID 167471509
(3R)-3-(2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione
CID 121493318
5-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 157474778
3-[5-(aminomethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 171058791
8-amino-2-(2,6-dioxopiperidin-3-yl)-4H-isoquinoline-1,3-dione
CID 172771986
3-(3,3-dimethyl-2-oxo-6-prop-2-enylindol-1-yl)piperidine-2,6-dione
CID 166946007
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
2-(2,6-dioxopiperidin-3-yl)-5-[(4-methylpiperazin-1-yl)methyl]isoindole-1,3-dione
CID 168872542
4-(2,2-dimethylpropyl)-2-(2,6-dioxopiperidin-3-yl)benzo[de]isoquinoline-1,3-dione
CID 166816641
5-[[(4-amino-2-methylbutan-2-yl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167737722
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,2-dimethylpropyl)-2-oxo-3H-indol-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[5-(2,2-dimethylpropyl)-2-oxo-3H-indol-1-yl]piperidine-2,6-dione (CID 162504449) is 3-[5-(2,2-dimethylpropyl)-2-oxo-3H-indol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-(2,2-dimethylpropyl)-2-oxo-3H-indol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-(2,2-dimethylpropyl)-2-oxo-3H-indol-1-yl]piperidine-2,6-dione is CC(C)(C)Cc1ccc2c(c1)CC(=O)N2C1CCC(=O)NC1=O.
What is the InChIKey of 3-[5-(2,2-dimethylpropyl)-2-oxo-3H-indol-1-yl]piperidine-2,6-dione?
The InChIKey is XBNFLQYHDOLMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-18(2,3)10-11-4-5-13-12(8-11)9-16(22)20(13)14-6-7-15(21)19-17(14)23/h4-5,8,14H,6-7,9-10H2,1-3H3,(H,19,21,23).
What are the key properties of 3-[5-(2,2-dimethylpropyl)-2-oxo-3H-indol-1-yl]piperidine-2,6-dione?
3-[5-(2,2-dimethylpropyl)-2-oxo-3H-indol-1-yl]piperidine-2,6-dione has a molecular weight of 314.38 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,2-dimethylpropyl)-2-oxo-3H-indol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 162504449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).