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

C19H27N3O2 — CID 22711876

IUPAC1-[1-acetyl-6-(3,4,5-trimethylpiperazin-1-yl)-2,3-dihydroindol-5-yl]ethanone
SMILESCC(=O)c1cc2c(cc1N1CC(C)N(C)C(C)C1)N(C(C)=O)CC2
InChIInChI=1S/C19H27N3O2/c1-12-10-21(11-13(2)20(12)5)19-9-18-16(8-17(19)14(3)23)6-7-22(18)15(4)24/h8-9,12-13H,6-7,10-11H2,1-5H3
InChIKeyCFUIYYBPYLPYKJ-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.33
Rot. Bonds2

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

1-[1-acetyl-6-(3,4,5-trimethylpiperazin-1-yl)-2,3-dihydroindol-5-yl]ethanone (PubChem CID 22711876) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-[1-acetyl-6-(3,4,5-trimethylpiperazin-1-yl)-2,3-dihydroindol-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-acetyl-6-(3,4,5-trimethylpiperazin-1-yl)-2,3-dihydroindol-5-yl]ethanone
PubChem CID22711876
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-[1-acetyl-6-(3,4,5-trimethylpiperazin-1-yl)-2,3-dihydroindol-5-yl]ethanone
SMILESCC(=O)c1cc2c(cc1N1CC(C)N(C)C(C)C1)N(C(C)=O)CC2
InChIInChI=1S/C19H27N3O2/c1-12-10-21(11-13(2)20(12)5)19-9-18-16(8-17(19)14(3)23)6-7-22(18)15(4)24/h8-9,12-13H,6-7,10-11H2,1-5H3
InChIKeyCFUIYYBPYLPYKJ-UHFFFAOYSA-N
XLogP2.33
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-acetyl-6-(3,4,5-trimethylpiperazin-1-yl)-2,3-dihydroindol-5-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-[5-chloro-6-(3,4,5-trimethylpiperazin-1-yl)-2,3-dihydroindol-1-yl]ethanone
CID 22711826
1-(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)-2-cyclopropylpropan-1-one
CID 83154759
1-(5-iodo-6-methyl-2,3-dihydroindol-1-yl)ethanone
CID 178096572
(1-acetyl-5-bromo-2,3-dihydroindol-6-yl) thiohypochlorite
CID 145018684
1-acetyl-5-bromo-2,3-dihydroindole-6-carbaldehyde
CID 60758043
1-(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)propan-1-one
CID 43164765
1-(5,6-dihydrothieno[3,2-f]indol-7-yl)ethanone
CID 54513861
methane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone
CID 159834618
1-acetyl-2,3-dihydroindole-6-carboxylic acid
CID 82609550
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)piperazin-1-yl]ethanone
CID 82537881
1-(6-isocyano-2,3-dihydroindol-1-yl)ethanone
CID 59468783
2-[2-fluoro-3-(trifluoromethyl)phenyl]-1-[5-methoxy-6-(3,4,5-trimethylpiperazin-1-yl)-2,3-dihydroindol-1-yl]ethanone
CID 22711825

Frequently Asked Questions

What is the IUPAC name of 1-[1-acetyl-6-(3,4,5-trimethylpiperazin-1-yl)-2,3-dihydroindol-5-yl]ethanone?
The IUPAC name of 1-[1-acetyl-6-(3,4,5-trimethylpiperazin-1-yl)-2,3-dihydroindol-5-yl]ethanone (CID 22711876) is 1-[1-acetyl-6-(3,4,5-trimethylpiperazin-1-yl)-2,3-dihydroindol-5-yl]ethanone.
What is the SMILES notation for 1-[1-acetyl-6-(3,4,5-trimethylpiperazin-1-yl)-2,3-dihydroindol-5-yl]ethanone?
The canonical SMILES for 1-[1-acetyl-6-(3,4,5-trimethylpiperazin-1-yl)-2,3-dihydroindol-5-yl]ethanone is CC(=O)c1cc2c(cc1N1CC(C)N(C)C(C)C1)N(C(C)=O)CC2.
What is the InChIKey of 1-[1-acetyl-6-(3,4,5-trimethylpiperazin-1-yl)-2,3-dihydroindol-5-yl]ethanone?
The InChIKey is CFUIYYBPYLPYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-12-10-21(11-13(2)20(12)5)19-9-18-16(8-17(19)14(3)23)6-7-22(18)15(4)24/h8-9,12-13H,6-7,10-11H2,1-5H3.
What are the key properties of 1-[1-acetyl-6-(3,4,5-trimethylpiperazin-1-yl)-2,3-dihydroindol-5-yl]ethanone?
1-[1-acetyl-6-(3,4,5-trimethylpiperazin-1-yl)-2,3-dihydroindol-5-yl]ethanone has a molecular weight of 329.44 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-acetyl-6-(3,4,5-trimethylpiperazin-1-yl)-2,3-dihydroindol-5-yl]ethanone is sourced from PubChem (CID 22711876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).