2-(3,4-dimethylpiperazin-1-yl)-1-(1H-indol-3-yl)ethanone

C16H21N3O — CID 63608717

IUPAC2-(3,4-dimethylpiperazin-1-yl)-1-(1H-indol-3-yl)ethanone
SMILESCC1CN(CC(=O)c2c[nH]c3ccccc23)CCN1C
InChIInChI=1S/C16H21N3O/c1-12-10-19(8-7-18(12)2)11-16(20)14-9-17-15-6-4-3-5-13(14)15/h3-6,9,12,17H,7-8,10-11H2,1-2H3
InChIKeyFGASKBKNAJBMSV-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.99
Rot. Bonds3

About 2-(3,4-dimethylpiperazin-1-yl)-1-(1H-indol-3-yl)ethanone

2-(3,4-dimethylpiperazin-1-yl)-1-(1H-indol-3-yl)ethanone (PubChem CID 63608717) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(3,4-dimethylpiperazin-1-yl)-1-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-dimethylpiperazin-1-yl)-1-(1H-indol-3-yl)ethanone
PubChem CID63608717
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-(3,4-dimethylpiperazin-1-yl)-1-(1H-indol-3-yl)ethanone
SMILESCC1CN(CC(=O)c2c[nH]c3ccccc23)CCN1C
InChIInChI=1S/C16H21N3O/c1-12-10-19(8-7-18(12)2)11-16(20)14-9-17-15-6-4-3-5-13(14)15/h3-6,9,12,17H,7-8,10-11H2,1-2H3
InChIKeyFGASKBKNAJBMSV-UHFFFAOYSA-N
XLogP1.99
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]ethanone
CID 3641786
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(1H-indol-3-yl)ethanone
CID 78950336
4-[2-(1H-indol-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one
CID 64695940
1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone
CID 913151
2-(3,4-dimethylpiperazin-1-yl)-1-(2-methylphenyl)ethanone
CID 63610775
1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidine-3-carboxamide
CID 43226754
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 115648322
1-(1H-indol-3-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 31872453
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 36880743
1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone
CID 3733485
1-(2,5-dimethylphenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanone
CID 55215426
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 913234

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpiperazin-1-yl)-1-(1H-indol-3-yl)ethanone?
The IUPAC name of 2-(3,4-dimethylpiperazin-1-yl)-1-(1H-indol-3-yl)ethanone (CID 63608717) is 2-(3,4-dimethylpiperazin-1-yl)-1-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(3,4-dimethylpiperazin-1-yl)-1-(1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(3,4-dimethylpiperazin-1-yl)-1-(1H-indol-3-yl)ethanone is CC1CN(CC(=O)c2c[nH]c3ccccc23)CCN1C.
What is the InChIKey of 2-(3,4-dimethylpiperazin-1-yl)-1-(1H-indol-3-yl)ethanone?
The InChIKey is FGASKBKNAJBMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-10-19(8-7-18(12)2)11-16(20)14-9-17-15-6-4-3-5-13(14)15/h3-6,9,12,17H,7-8,10-11H2,1-2H3.
What are the key properties of 2-(3,4-dimethylpiperazin-1-yl)-1-(1H-indol-3-yl)ethanone?
2-(3,4-dimethylpiperazin-1-yl)-1-(1H-indol-3-yl)ethanone has a molecular weight of 271.36 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpiperazin-1-yl)-1-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 63608717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).