1-(1,2-dimethylindol-3-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione

C17H21N3O2 — CID 7087183

IUPAC1-(1,2-dimethylindol-3-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione
SMILESCc1c(C(=O)C(=O)N2CCN(C)CC2)c2ccccc2n1C
InChIInChI=1S/C17H21N3O2/c1-12-15(13-6-4-5-7-14(13)19(12)3)16(21)17(22)20-10-8-18(2)9-11-20/h4-7H,8-11H2,1-3H3
InChIKeyLUFQHHDIWUTTOJ-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.44
Rot. Bonds2

About 1-(1,2-dimethylindol-3-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione

1-(1,2-dimethylindol-3-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione (PubChem CID 7087183) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-(1,2-dimethylindol-3-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-(1,2-dimethylindol-3-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione
PubChem CID7087183
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-(1,2-dimethylindol-3-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione
SMILESCc1c(C(=O)C(=O)N2CCN(C)CC2)c2ccccc2n1C
InChIInChI=1S/C17H21N3O2/c1-12-15(13-6-4-5-7-14(13)19(12)3)16(21)17(22)20-10-8-18(2)9-11-20/h4-7H,8-11H2,1-3H3
InChIKeyLUFQHHDIWUTTOJ-UHFFFAOYSA-N
XLogP1.44
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.44
H-Bond Donors ≤ 50
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 1-(1,2-dimethylindol-3-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione?
The IUPAC name of 1-(1,2-dimethylindol-3-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione (CID 7087183) is 1-(1,2-dimethylindol-3-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione.
What is the SMILES notation for 1-(1,2-dimethylindol-3-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione?
The canonical SMILES for 1-(1,2-dimethylindol-3-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione is Cc1c(C(=O)C(=O)N2CCN(C)CC2)c2ccccc2n1C.
What is the InChIKey of 1-(1,2-dimethylindol-3-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione?
The InChIKey is LUFQHHDIWUTTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-15(13-6-4-5-7-14(13)19(12)3)16(21)17(22)20-10-8-18(2)9-11-20/h4-7H,8-11H2,1-3H3.
What are the key properties of 1-(1,2-dimethylindol-3-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione?
1-(1,2-dimethylindol-3-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione has a molecular weight of 299.37 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylindol-3-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione is sourced from PubChem (CID 7087183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).