1-(4-ethylpiperazin-1-yl)-2-(1H-indol-6-yl)ethanone

C16H21N3O — CID 84577281

IUPAC1-(4-ethylpiperazin-1-yl)-2-(1H-indol-6-yl)ethanone
SMILESCCN1CCN(C(=O)Cc2ccc3cc[nH]c3c2)CC1
InChIInChI=1S/C16H21N3O/c1-2-18-7-9-19(10-8-18)16(20)12-13-3-4-14-5-6-17-15(14)11-13/h3-6,11,17H,2,7-10,12H2,1H3
InChIKeyDZCXBPOKADYUOK-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.87
Rot. Bonds3

About 1-(4-ethylpiperazin-1-yl)-2-(1H-indol-6-yl)ethanone

1-(4-ethylpiperazin-1-yl)-2-(1H-indol-6-yl)ethanone (PubChem CID 84577281) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2-(1H-indol-6-yl)ethanone.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2-(1H-indol-6-yl)ethanone
PubChem CID84577281
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-(4-ethylpiperazin-1-yl)-2-(1H-indol-6-yl)ethanone
SMILESCCN1CCN(C(=O)Cc2ccc3cc[nH]c3c2)CC1
InChIInChI=1S/C16H21N3O/c1-2-18-7-9-19(10-8-18)16(20)12-13-3-4-14-5-6-17-15(14)11-13/h3-6,11,17H,2,7-10,12H2,1H3
InChIKeyDZCXBPOKADYUOK-UHFFFAOYSA-N
XLogP1.87
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(hydroxymethyl)piperidin-1-yl]-2-(1H-indol-6-yl)ethanone
CID 112531741
methyl 1-[2-(1H-indol-6-yl)acetyl]piperidine-4-carboxylate
CID 112531678
1-(3-aminopiperidin-1-yl)-2-(1H-indol-6-yl)ethanone
CID 112530969
2-(4-tert-butylphenyl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 110766836
ethyl 1-[2-(1H-indol-6-yl)acetyl]piperidine-3-carboxylate
CID 84577392
1-(4-ethylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanone
CID 110771210
2-(3-bromo-4-methoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 110767784
2-(1H-indol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 84577578
1-(4-ethylpiperazin-1-yl)-2-(4-phenoxyphenyl)ethanone
CID 110768049
N-(4-ethylphenyl)-2-(1H-indol-6-yl)acetamide
CID 110476500
2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 110774300
1-(5-aminopyrazol-1-yl)-2-(1H-indol-6-yl)ethanone
CID 112524612

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-(1H-indol-6-yl)ethanone?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-(1H-indol-6-yl)ethanone (CID 84577281) is 1-(4-ethylpiperazin-1-yl)-2-(1H-indol-6-yl)ethanone.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2-(1H-indol-6-yl)ethanone?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2-(1H-indol-6-yl)ethanone is CCN1CCN(C(=O)Cc2ccc3cc[nH]c3c2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2-(1H-indol-6-yl)ethanone?
The InChIKey is DZCXBPOKADYUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-18-7-9-19(10-8-18)16(20)12-13-3-4-14-5-6-17-15(14)11-13/h3-6,11,17H,2,7-10,12H2,1H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2-(1H-indol-6-yl)ethanone?
1-(4-ethylpiperazin-1-yl)-2-(1H-indol-6-yl)ethanone has a molecular weight of 271.36 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-2-(1H-indol-6-yl)ethanone is sourced from PubChem (CID 84577281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).