1-(4-ethylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione

C17H21N3O2 — CID 7117512

IUPAC1-(4-ethylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione
SMILESCCN1CCN(C(=O)C(=O)c2c(C)[nH]c3ccccc23)CC1
InChIInChI=1S/C17H21N3O2/c1-3-19-8-10-20(11-9-19)17(22)16(21)15-12(2)18-14-7-5-4-6-13(14)15/h4-7,18H,3,8-11H2,1-2H3
InChIKeyQQHZFLFIYUEUDG-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.82
Rot. Bonds3

About 1-(4-ethylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione

1-(4-ethylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione (PubChem CID 7117512) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione
PubChem CID7117512
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-(4-ethylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione
SMILESCCN1CCN(C(=O)C(=O)c2c(C)[nH]c3ccccc23)CC1
InChIInChI=1S/C17H21N3O2/c1-3-19-8-10-20(11-9-19)17(22)16(21)15-12(2)18-14-7-5-4-6-13(14)15/h4-7,18H,3,8-11H2,1-2H3
InChIKeyQQHZFLFIYUEUDG-UHFFFAOYSA-N
XLogP1.82
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-(4-ethylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione (CID 7117512) is 1-(4-ethylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione is CCN1CCN(C(=O)C(=O)c2c(C)[nH]c3ccccc23)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione?
The InChIKey is QQHZFLFIYUEUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-3-19-8-10-20(11-9-19)17(22)16(21)15-12(2)18-14-7-5-4-6-13(14)15/h4-7,18H,3,8-11H2,1-2H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione?
1-(4-ethylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione has a molecular weight of 299.37 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione is sourced from PubChem (CID 7117512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).