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

C15H18FN3O2 — CID 80729747

IUPAC5-fluoro-6-(4-propan-2-ylpiperazin-1-yl)-1H-indole-2,3-dione
SMILESCC(C)N1CCN(c2cc3c(cc2F)C(=O)C(=O)N3)CC1
InChIInChI=1S/C15H18FN3O2/c1-9(2)18-3-5-19(6-4-18)13-8-12-10(7-11(13)16)14(20)15(21)17-12/h7-9H,3-6H2,1-2H3,(H,17,20,21)
InChIKeyZXWMJRVQHWLBOQ-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.49
Rot. Bonds2

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

5-fluoro-6-(4-propan-2-ylpiperazin-1-yl)-1H-indole-2,3-dione (PubChem CID 80729747) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 5-fluoro-6-(4-propan-2-ylpiperazin-1-yl)-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-fluoro-6-(4-propan-2-ylpiperazin-1-yl)-1H-indole-2,3-dione
PubChem CID80729747
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name5-fluoro-6-(4-propan-2-ylpiperazin-1-yl)-1H-indole-2,3-dione
SMILESCC(C)N1CCN(c2cc3c(cc2F)C(=O)C(=O)N3)CC1
InChIInChI=1S/C15H18FN3O2/c1-9(2)18-3-5-19(6-4-18)13-8-12-10(7-11(13)16)14(20)15(21)17-12/h7-9H,3-6H2,1-2H3,(H,17,20,21)
InChIKeyZXWMJRVQHWLBOQ-UHFFFAOYSA-N
XLogP1.49
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.49
H-Bond Donors ≤ 51
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-fluoro-6-(4-propan-2-ylpiperazin-1-yl)-1H-indole-2,3-dione?
The IUPAC name of 5-fluoro-6-(4-propan-2-ylpiperazin-1-yl)-1H-indole-2,3-dione (CID 80729747) is 5-fluoro-6-(4-propan-2-ylpiperazin-1-yl)-1H-indole-2,3-dione.
What is the SMILES notation for 5-fluoro-6-(4-propan-2-ylpiperazin-1-yl)-1H-indole-2,3-dione?
The canonical SMILES for 5-fluoro-6-(4-propan-2-ylpiperazin-1-yl)-1H-indole-2,3-dione is CC(C)N1CCN(c2cc3c(cc2F)C(=O)C(=O)N3)CC1.
What is the InChIKey of 5-fluoro-6-(4-propan-2-ylpiperazin-1-yl)-1H-indole-2,3-dione?
The InChIKey is ZXWMJRVQHWLBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-9(2)18-3-5-19(6-4-18)13-8-12-10(7-11(13)16)14(20)15(21)17-12/h7-9H,3-6H2,1-2H3,(H,17,20,21).
What are the key properties of 5-fluoro-6-(4-propan-2-ylpiperazin-1-yl)-1H-indole-2,3-dione?
5-fluoro-6-(4-propan-2-ylpiperazin-1-yl)-1H-indole-2,3-dione has a molecular weight of 291.33 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(4-propan-2-ylpiperazin-1-yl)-1H-indole-2,3-dione is sourced from PubChem (CID 80729747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).