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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Related Compounds

Jwh 015
CID 4273754
1-((N-Methyl-2-piperidinyl)methyl)-3-(2-iodobenzoyl)-1H-indole
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Jwh-007
CID 10360860
1H-Indole-3-carboxaldehyde, 1-methyl-2-phenyl-
CID 74468
2-(2-Methylphenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
CID 11616723
[1-[(1-Methylpiperidin-2-yl)methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11537652
Rhetsinine
CID 99652
Olinone
CID 91668531
Tryprostatin B
CID 9863281
2-(piperazin-1-ylcarbonyl)-1H-indole
CID 921599
2-(1H-indol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide
CID 2176767
Jwh-167
CID 44397502

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).