5,7-difluoro-6-(4-hydroxypiperidin-1-yl)-1H-indole-2,3-dione

C13H12F2N2O3 — CID 10356393

IUPAC5,7-difluoro-6-(4-hydroxypiperidin-1-yl)-1H-indole-2,3-dione
SMILESO=C1Nc2c(cc(F)c(N3CCC(O)CC3)c2F)C1=O
InChIInChI=1S/C13H12F2N2O3/c14-8-5-7-10(16-13(20)12(7)19)9(15)11(8)17-3-1-6(18)2-4-17/h5-6,18H,1-4H2,(H,16,19,20)
InChIKeyIZNKEDJWNQTCHW-UHFFFAOYSA-N
MW282.25 g/mol
LogP1.06
Rot. Bonds1

About 5,7-difluoro-6-(4-hydroxypiperidin-1-yl)-1H-indole-2,3-dione

5,7-difluoro-6-(4-hydroxypiperidin-1-yl)-1H-indole-2,3-dione (PubChem CID 10356393) has the molecular formula C13H12F2N2O3 and a molecular weight of 282.25 g/mol. Its IUPAC name is 5,7-difluoro-6-(4-hydroxypiperidin-1-yl)-1H-indole-2,3-dione.

Molecular Properties

Compound Name5,7-difluoro-6-(4-hydroxypiperidin-1-yl)-1H-indole-2,3-dione
PubChem CID10356393
Molecular FormulaC13H12F2N2O3
Molecular Weight282.25 g/mol
Exact Mass282.08
IUPAC Name5,7-difluoro-6-(4-hydroxypiperidin-1-yl)-1H-indole-2,3-dione
SMILESO=C1Nc2c(cc(F)c(N3CCC(O)CC3)c2F)C1=O
InChIInChI=1S/C13H12F2N2O3/c14-8-5-7-10(16-13(20)12(7)19)9(15)11(8)17-3-1-6(18)2-4-17/h5-6,18H,1-4H2,(H,16,19,20)
InChIKeyIZNKEDJWNQTCHW-UHFFFAOYSA-N
XLogP1.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-6-(4-hydroxypiperidin-1-yl)-1H-indole-2,3-dione?
The IUPAC name of 5,7-difluoro-6-(4-hydroxypiperidin-1-yl)-1H-indole-2,3-dione (CID 10356393) is 5,7-difluoro-6-(4-hydroxypiperidin-1-yl)-1H-indole-2,3-dione.
What is the SMILES notation for 5,7-difluoro-6-(4-hydroxypiperidin-1-yl)-1H-indole-2,3-dione?
The canonical SMILES for 5,7-difluoro-6-(4-hydroxypiperidin-1-yl)-1H-indole-2,3-dione is O=C1Nc2c(cc(F)c(N3CCC(O)CC3)c2F)C1=O.
What is the InChIKey of 5,7-difluoro-6-(4-hydroxypiperidin-1-yl)-1H-indole-2,3-dione?
The InChIKey is IZNKEDJWNQTCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O3/c14-8-5-7-10(16-13(20)12(7)19)9(15)11(8)17-3-1-6(18)2-4-17/h5-6,18H,1-4H2,(H,16,19,20).
What are the key properties of 5,7-difluoro-6-(4-hydroxypiperidin-1-yl)-1H-indole-2,3-dione?
5,7-difluoro-6-(4-hydroxypiperidin-1-yl)-1H-indole-2,3-dione has a molecular weight of 282.25 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-6-(4-hydroxypiperidin-1-yl)-1H-indole-2,3-dione is sourced from PubChem (CID 10356393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).