3-(4-fluoro-3-methyl-5-propan-2-ylindol-1-yl)piperidine-2,6-dione

C17H19FN2O2 — CID 170953295

IUPAC3-(4-fluoro-3-methyl-5-propan-2-ylindol-1-yl)piperidine-2,6-dione
SMILESCc1cn(C2CCC(=O)NC2=O)c2ccc(C(C)C)c(F)c12
InChIInChI=1S/C17H19FN2O2/c1-9(2)11-4-5-12-15(16(11)18)10(3)8-20(12)13-6-7-14(21)19-17(13)22/h4-5,8-9,13H,6-7H2,1-3H3,(H,19,21,22)
InChIKeyCKLIUTJERPNNGN-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.19
Rot. Bonds2

About 3-(4-fluoro-3-methyl-5-propan-2-ylindol-1-yl)piperidine-2,6-dione

3-(4-fluoro-3-methyl-5-propan-2-ylindol-1-yl)piperidine-2,6-dione (PubChem CID 170953295) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 3-(4-fluoro-3-methyl-5-propan-2-ylindol-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(4-fluoro-3-methyl-5-propan-2-ylindol-1-yl)piperidine-2,6-dione
PubChem CID170953295
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name3-(4-fluoro-3-methyl-5-propan-2-ylindol-1-yl)piperidine-2,6-dione
SMILESCc1cn(C2CCC(=O)NC2=O)c2ccc(C(C)C)c(F)c12
InChIInChI=1S/C17H19FN2O2/c1-9(2)11-4-5-12-15(16(11)18)10(3)8-20(12)13-6-7-14(21)19-17(13)22/h4-5,8-9,13H,6-7H2,1-3H3,(H,19,21,22)
InChIKeyCKLIUTJERPNNGN-UHFFFAOYSA-N
XLogP3.19
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.19
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-(3-methylindol-1-yl)piperidine-2,6-dione
CID 138467080
2-(2,6-dioxopiperidin-3-yl)-5-methyl-6-propan-2-ylisoindole-1,3-dione
CID 178005064
3-(3-methyl-2-oxo-5-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione
CID 138727887
3-(2-fluoro-3-propan-2-ylphenyl)piperidine-2,6-dione
CID 170184885
2-[(3R)-2,6-dioxopiperidin-3-yl]-5-fluoro-6-propan-2-ylisoindole-1,3-dione
CID 167278640
3-(4-methylindol-1-yl)piperidine-2,6-dione
CID 167418675
3-(5-methyl-2-oxo-3-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione
CID 171641750
(3S)-3-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 166733310
2-(2,6-dioxopiperidin-3-yl)-4-fluoro-7-methylisoindole-1,3-dione
CID 131999738
3-(4-amino-3-oxo-7-propan-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 166490098
3-(4-ethyl-3,5-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 176933360
3-(7-methoxy-3-methyl-2-oxo-4-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione
CID 164567760

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methyl-5-propan-2-ylindol-1-yl)piperidine-2,6-dione?
The IUPAC name of 3-(4-fluoro-3-methyl-5-propan-2-ylindol-1-yl)piperidine-2,6-dione (CID 170953295) is 3-(4-fluoro-3-methyl-5-propan-2-ylindol-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(4-fluoro-3-methyl-5-propan-2-ylindol-1-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(4-fluoro-3-methyl-5-propan-2-ylindol-1-yl)piperidine-2,6-dione is Cc1cn(C2CCC(=O)NC2=O)c2ccc(C(C)C)c(F)c12.
What is the InChIKey of 3-(4-fluoro-3-methyl-5-propan-2-ylindol-1-yl)piperidine-2,6-dione?
The InChIKey is CKLIUTJERPNNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-9(2)11-4-5-12-15(16(11)18)10(3)8-20(12)13-6-7-14(21)19-17(13)22/h4-5,8-9,13H,6-7H2,1-3H3,(H,19,21,22).
What are the key properties of 3-(4-fluoro-3-methyl-5-propan-2-ylindol-1-yl)piperidine-2,6-dione?
3-(4-fluoro-3-methyl-5-propan-2-ylindol-1-yl)piperidine-2,6-dione has a molecular weight of 302.35 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methyl-5-propan-2-ylindol-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 170953295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).