1-[5-chloro-6-(3,4,5-trimethylpiperazin-1-yl)-2,3-dihydroindol-1-yl]ethanone

C17H24ClN3O — CID 22711826

IUPAC1-[5-chloro-6-(3,4,5-trimethylpiperazin-1-yl)-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(Cl)c(N3CC(C)N(C)C(C)C3)cc21
InChIInChI=1S/C17H24ClN3O/c1-11-9-20(10-12(2)19(11)4)17-8-16-14(7-15(17)18)5-6-21(16)13(3)22/h7-8,11-12H,5-6,9-10H2,1-4H3
InChIKeyVDMPJDUBYKJKLR-UHFFFAOYSA-N
MW321.85 g/mol
LogP2.78
Rot. Bonds1

About 1-[5-chloro-6-(3,4,5-trimethylpiperazin-1-yl)-2,3-dihydroindol-1-yl]ethanone

1-[5-chloro-6-(3,4,5-trimethylpiperazin-1-yl)-2,3-dihydroindol-1-yl]ethanone (PubChem CID 22711826) has the molecular formula C17H24ClN3O and a molecular weight of 321.85 g/mol. Its IUPAC name is 1-[5-chloro-6-(3,4,5-trimethylpiperazin-1-yl)-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-chloro-6-(3,4,5-trimethylpiperazin-1-yl)-2,3-dihydroindol-1-yl]ethanone
PubChem CID22711826
Molecular FormulaC17H24ClN3O
Molecular Weight321.85 g/mol
Exact Mass321.16
IUPAC Name1-[5-chloro-6-(3,4,5-trimethylpiperazin-1-yl)-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(Cl)c(N3CC(C)N(C)C(C)C3)cc21
InChIInChI=1S/C17H24ClN3O/c1-11-9-20(10-12(2)19(11)4)17-8-16-14(7-15(17)18)5-6-21(16)13(3)22/h7-8,11-12H,5-6,9-10H2,1-4H3
InChIKeyVDMPJDUBYKJKLR-UHFFFAOYSA-N
XLogP2.78
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[5-chloro-6-(3,4,5-trimethylpiperazin-1-yl)-2,3-dihydroindol-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-acetyl-6-(3,4,5-trimethylpiperazin-1-yl)-2,3-dihydroindol-5-yl]ethanone
CID 22711876
5-chloro-6-[(3S)-3,4,5-trimethylpiperazin-1-yl]-2,3-dihydro-1H-indole
CID 70121154
(1-acetyl-5-bromo-2,3-dihydroindol-6-yl) thiohypochlorite
CID 145018684
1-(5-iodo-6-methyl-2,3-dihydroindol-1-yl)ethanone
CID 178096572
sodium 1-acetyl-6-chloro-2,3-dihydroindole-5-sulfinate
CID 165449431
1-acetyl-5-chloro-N-cyclohexyl-2,3-dihydroindole-6-sulfonamide
CID 118906205
1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide
CID 55151149
1-acetyl-5-bromo-2,3-dihydroindole-6-carbaldehyde
CID 60758043
1-(5-fluoro-6-methylsulfonyl-2,3-dihydroindol-1-yl)ethanone
CID 59468850
1-acetyl-5-chloro-N,N-bis(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide
CID 118906183
1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonyl chloride
CID 161326108
methane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone
CID 159834618

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-6-(3,4,5-trimethylpiperazin-1-yl)-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-chloro-6-(3,4,5-trimethylpiperazin-1-yl)-2,3-dihydroindol-1-yl]ethanone (CID 22711826) is 1-[5-chloro-6-(3,4,5-trimethylpiperazin-1-yl)-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-chloro-6-(3,4,5-trimethylpiperazin-1-yl)-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-chloro-6-(3,4,5-trimethylpiperazin-1-yl)-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(Cl)c(N3CC(C)N(C)C(C)C3)cc21.
What is the InChIKey of 1-[5-chloro-6-(3,4,5-trimethylpiperazin-1-yl)-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is VDMPJDUBYKJKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O/c1-11-9-20(10-12(2)19(11)4)17-8-16-14(7-15(17)18)5-6-21(16)13(3)22/h7-8,11-12H,5-6,9-10H2,1-4H3.
What are the key properties of 1-[5-chloro-6-(3,4,5-trimethylpiperazin-1-yl)-2,3-dihydroindol-1-yl]ethanone?
1-[5-chloro-6-(3,4,5-trimethylpiperazin-1-yl)-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 321.85 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-6-(3,4,5-trimethylpiperazin-1-yl)-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 22711826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).