2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-indol-1-ylethanone

C16H21N3O2 — CID 118225626

IUPAC2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-indol-1-ylethanone
SMILESO=C(CN1CCN(CCO)CC1)n1ccc2ccccc21
InChIInChI=1S/C16H21N3O2/c20-12-11-17-7-9-18(10-8-17)13-16(21)19-6-5-14-3-1-2-4-15(14)19/h1-6,20H,7-13H2
InChIKeyZMYUPIIRNNJKQW-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.89
Rot. Bonds4

About 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-indol-1-ylethanone

2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-indol-1-ylethanone (PubChem CID 118225626) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-indol-1-ylethanone.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-indol-1-ylethanone
PubChem CID118225626
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-indol-1-ylethanone
SMILESO=C(CN1CCN(CCO)CC1)n1ccc2ccccc21
InChIInChI=1S/C16H21N3O2/c20-12-11-17-7-9-18(10-8-17)13-16(21)19-6-5-14-3-1-2-4-15(14)19/h1-6,20H,7-13H2
InChIKeyZMYUPIIRNNJKQW-UHFFFAOYSA-N
XLogP0.89
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-bromoindol-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 137381844
1-indol-1-yl-2-phenylethanone
CID 118536016
4-indol-1-yl-4-oxobutanamide
CID 84553197
4-indol-1-yl-N-(4-methylpiperazin-1-yl)-4-oxobutanamide
CID 84557053
4-indol-1-yl-N-(3-morpholin-4-ylpropyl)-4-oxobutanamide
CID 84557544
2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]acetamide
CID 86822734
1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-indol-1-ylbutane-1,4-dione
CID 84553706
1-indol-1-yloctadecan-1-one
CID 58661273
2-[4-(2-carbazol-9-ylethyl)piperazin-1-yl]ethanol
CID 137460079
[4-(2-hydroxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 43390847
2-[4-(2-hydroxyethyl)piperazin-1-yl]benzoic acid
CID 25360108
2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 87040579

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-indol-1-ylethanone?
The IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-indol-1-ylethanone (CID 118225626) is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-indol-1-ylethanone.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-indol-1-ylethanone?
The canonical SMILES for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-indol-1-ylethanone is O=C(CN1CCN(CCO)CC1)n1ccc2ccccc21.
What is the InChIKey of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-indol-1-ylethanone?
The InChIKey is ZMYUPIIRNNJKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-12-11-17-7-9-18(10-8-17)13-16(21)19-6-5-14-3-1-2-4-15(14)19/h1-6,20H,7-13H2.
What are the key properties of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-indol-1-ylethanone?
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-indol-1-ylethanone has a molecular weight of 287.36 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-indol-1-ylethanone is sourced from PubChem (CID 118225626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).