6-(4-ethylpiperazin-1-yl)-5-fluoro-1H-indole-2,3-dione

C14H16FN3O2 — CID 80747271

IUPAC6-(4-ethylpiperazin-1-yl)-5-fluoro-1H-indole-2,3-dione
SMILESCCN1CCN(c2cc3c(cc2F)C(=O)C(=O)N3)CC1
InChIInChI=1S/C14H16FN3O2/c1-2-17-3-5-18(6-4-17)12-8-11-9(7-10(12)15)13(19)14(20)16-11/h7-8H,2-6H2,1H3,(H,16,19,20)
InChIKeyFEGXDESHXMZYFM-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.10
Rot. Bonds2

About 6-(4-ethylpiperazin-1-yl)-5-fluoro-1H-indole-2,3-dione

6-(4-ethylpiperazin-1-yl)-5-fluoro-1H-indole-2,3-dione (PubChem CID 80747271) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 6-(4-ethylpiperazin-1-yl)-5-fluoro-1H-indole-2,3-dione.

Molecular Properties

Compound Name6-(4-ethylpiperazin-1-yl)-5-fluoro-1H-indole-2,3-dione
PubChem CID80747271
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name6-(4-ethylpiperazin-1-yl)-5-fluoro-1H-indole-2,3-dione
SMILESCCN1CCN(c2cc3c(cc2F)C(=O)C(=O)N3)CC1
InChIInChI=1S/C14H16FN3O2/c1-2-17-3-5-18(6-4-17)12-8-11-9(7-10(12)15)13(19)14(20)16-11/h7-8H,2-6H2,1H3,(H,16,19,20)
InChIKeyFEGXDESHXMZYFM-UHFFFAOYSA-N
XLogP1.10
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(4-ethylpiperazin-1-yl)-5-fluoro-1H-indole-2,3-dione with MolForge

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Related Compounds

5-fluoro-6-(4-propan-2-ylpiperazin-1-yl)-1H-indole-2,3-dione
CID 80729747
5-fluoro-6-(4-propan-2-ylpiperidin-1-yl)-1H-indole-2,3-dione
CID 103496641
5-fluoro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1H-indole-2,3-dione
CID 114410247
5-fluoro-6-(4-methylazepan-1-yl)-1H-indole-2,3-dione
CID 80747278
5-fluoro-6-(3-methylthiomorpholin-4-yl)-1H-indole-2,3-dione
CID 80758039
5-bromo-6-(4-ethylazepan-1-yl)-1H-indole-2,3-dione
CID 79343459
1-ethyl-4-(4-fluoro-2-nitro-5-pyrrolidin-1-ylphenyl)piperazine
CID 12005086
1-[4-(4-ethylpiperazin-1-yl)-5-fluoro-2-methylphenyl]propan-1-one
CID 975939
1-ethyl-4-(2-fluoro-5-methyl-4-nitrophenyl)piperazine
CID 2947734
4-(4-ethylpiperazin-1-yl)-3-fluorobenzoic acid
CID 28604489
6-bromo-5-fluoro-1H-indole-2,3-dione
CID 67517039
5-bromo-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-indole-2,3-dione
CID 106836223

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylpiperazin-1-yl)-5-fluoro-1H-indole-2,3-dione?
The IUPAC name of 6-(4-ethylpiperazin-1-yl)-5-fluoro-1H-indole-2,3-dione (CID 80747271) is 6-(4-ethylpiperazin-1-yl)-5-fluoro-1H-indole-2,3-dione.
What is the SMILES notation for 6-(4-ethylpiperazin-1-yl)-5-fluoro-1H-indole-2,3-dione?
The canonical SMILES for 6-(4-ethylpiperazin-1-yl)-5-fluoro-1H-indole-2,3-dione is CCN1CCN(c2cc3c(cc2F)C(=O)C(=O)N3)CC1.
What is the InChIKey of 6-(4-ethylpiperazin-1-yl)-5-fluoro-1H-indole-2,3-dione?
The InChIKey is FEGXDESHXMZYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-2-17-3-5-18(6-4-17)12-8-11-9(7-10(12)15)13(19)14(20)16-11/h7-8H,2-6H2,1H3,(H,16,19,20).
What are the key properties of 6-(4-ethylpiperazin-1-yl)-5-fluoro-1H-indole-2,3-dione?
6-(4-ethylpiperazin-1-yl)-5-fluoro-1H-indole-2,3-dione has a molecular weight of 277.30 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylpiperazin-1-yl)-5-fluoro-1H-indole-2,3-dione is sourced from PubChem (CID 80747271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).