2-(6-methylindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone

C16H21N3O — CID 116546775

IUPAC2-(6-methylindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCc1ccc2ccn(CC(=O)N3CCN(C)CC3)c2c1
InChIInChI=1S/C16H21N3O/c1-13-3-4-14-5-6-19(15(14)11-13)12-16(20)18-9-7-17(2)8-10-18/h3-6,11H,7-10,12H2,1-2H3
InChIKeyXNDLXEFXLHZNPR-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.72
Rot. Bonds2

About 2-(6-methylindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone

2-(6-methylindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 116546775) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(6-methylindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(6-methylindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID116546775
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-(6-methylindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCc1ccc2ccn(CC(=O)N3CCN(C)CC3)c2c1
InChIInChI=1S/C16H21N3O/c1-13-3-4-14-5-6-19(15(14)11-13)12-16(20)18-9-7-17(2)8-10-18/h3-6,11H,7-10,12H2,1-2H3
InChIKeyXNDLXEFXLHZNPR-UHFFFAOYSA-N
XLogP1.72
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-chloroindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 39036168
1-[2-(5-methylindol-1-yl)acetyl]piperidin-4-one
CID 63555836
1-cyclopropyl-2-(6-methylindol-1-yl)ethanone
CID 63914817
3,3-dimethyl-1-(6-methylindol-1-yl)butan-2-one
CID 62025224
N,N-dimethyl-2-(6-methylindol-1-yl)acetamide
CID 116546688
1-(azepan-1-yl)-2-(6-bromoindol-1-yl)ethanone
CID 116622080
4-[2-(6-fluoroindol-1-yl)acetyl]piperazine-1-carbaldehyde
CID 29129372
ethane;1-(4-methylpiperazin-1-yl)-2-(2-methylpyrrolo[2,3-d]pyrimidin-7-yl)ethanone
CID 144655013
6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)quinolin-4-one
CID 100742023
2-[6-(ethylaminomethyl)indol-1-yl]-1-pyrrolidin-1-ylethanone
CID 102916734
2-[6-(methylaminomethyl)indol-1-yl]-1-piperidin-1-ylethanone
CID 102916558
1-(4-acetyl-1,4-diazepan-1-yl)-2-indol-1-ylethanone
CID 56817791

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(6-methylindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone (CID 116546775) is 2-(6-methylindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(6-methylindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(6-methylindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone is Cc1ccc2ccn(CC(=O)N3CCN(C)CC3)c2c1.
What is the InChIKey of 2-(6-methylindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is XNDLXEFXLHZNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-13-3-4-14-5-6-19(15(14)11-13)12-16(20)18-9-7-17(2)8-10-18/h3-6,11H,7-10,12H2,1-2H3.
What are the key properties of 2-(6-methylindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone?
2-(6-methylindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 271.36 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 116546775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).