6-(3,4-dimethylpiperazin-1-yl)-1-methylindole-2,3-dione

C15H19N3O2 — CID 81309126

IUPAC6-(3,4-dimethylpiperazin-1-yl)-1-methylindole-2,3-dione
SMILESCC1CN(c2ccc3c(c2)N(C)C(=O)C3=O)CCN1C
InChIInChI=1S/C15H19N3O2/c1-10-9-18(7-6-16(10)2)11-4-5-12-13(8-11)17(3)15(20)14(12)19/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyZZFUGTRGRYXLED-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.99
Rot. Bonds1

About 6-(3,4-dimethylpiperazin-1-yl)-1-methylindole-2,3-dione

6-(3,4-dimethylpiperazin-1-yl)-1-methylindole-2,3-dione (PubChem CID 81309126) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 6-(3,4-dimethylpiperazin-1-yl)-1-methylindole-2,3-dione.

Molecular Properties

Compound Name6-(3,4-dimethylpiperazin-1-yl)-1-methylindole-2,3-dione
PubChem CID81309126
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name6-(3,4-dimethylpiperazin-1-yl)-1-methylindole-2,3-dione
SMILESCC1CN(c2ccc3c(c2)N(C)C(=O)C3=O)CCN1C
InChIInChI=1S/C15H19N3O2/c1-10-9-18(7-6-16(10)2)11-4-5-12-13(8-11)17(3)15(20)14(12)19/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyZZFUGTRGRYXLED-UHFFFAOYSA-N
XLogP0.99
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.99
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 6-(3,4-dimethylpiperazin-1-yl)-1-methylindole-2,3-dione?
The IUPAC name of 6-(3,4-dimethylpiperazin-1-yl)-1-methylindole-2,3-dione (CID 81309126) is 6-(3,4-dimethylpiperazin-1-yl)-1-methylindole-2,3-dione.
What is the SMILES notation for 6-(3,4-dimethylpiperazin-1-yl)-1-methylindole-2,3-dione?
The canonical SMILES for 6-(3,4-dimethylpiperazin-1-yl)-1-methylindole-2,3-dione is CC1CN(c2ccc3c(c2)N(C)C(=O)C3=O)CCN1C.
What is the InChIKey of 6-(3,4-dimethylpiperazin-1-yl)-1-methylindole-2,3-dione?
The InChIKey is ZZFUGTRGRYXLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-9-18(7-6-16(10)2)11-4-5-12-13(8-11)17(3)15(20)14(12)19/h4-5,8,10H,6-7,9H2,1-3H3.
What are the key properties of 6-(3,4-dimethylpiperazin-1-yl)-1-methylindole-2,3-dione?
6-(3,4-dimethylpiperazin-1-yl)-1-methylindole-2,3-dione has a molecular weight of 273.34 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylpiperazin-1-yl)-1-methylindole-2,3-dione is sourced from PubChem (CID 81309126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).