2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone

C17H23N3O2 — CID 947076

IUPAC2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
SMILESCc1[nH]c2ccccc2c1C(=O)CN1CCN(CCO)CC1
InChIInChI=1S/C17H23N3O2/c1-13-17(14-4-2-3-5-15(14)18-13)16(22)12-20-8-6-19(7-9-20)10-11-21/h2-5,18,21H,6-12H2,1H3
InChIKeyFHDXXIIWXOAHKI-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.27
Rot. Bonds5

About 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone

2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone (PubChem CID 947076) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
PubChem CID947076
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
SMILESCc1[nH]c2ccccc2c1C(=O)CN1CCN(CCO)CC1
InChIInChI=1S/C17H23N3O2/c1-13-17(14-4-2-3-5-15(14)18-13)16(22)12-20-8-6-19(7-9-20)10-11-21/h2-5,18,21H,6-12H2,1H3
InChIKeyFHDXXIIWXOAHKI-UHFFFAOYSA-N
XLogP1.27
TPSA59.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylethanone
CID 718235
1-(2-methyl-1H-indol-3-yl)-2-thiomorpholin-4-ylethanone
CID 659447
2-methyl-1-[4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]piperazin-1-yl]propan-1-one
CID 18086237
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 46563110
1-(2-methyl-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one
CID 95474523
1-(2-methyl-1H-indol-3-yl)-2-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]ethanone
CID 3913869
1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 7819513
N-cyclohexyl-N-methyl-4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]piperazine-1-sulfonamide
CID 55626329
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 110935930
2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 18125090
1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 920121
1-(2-phenyl-1H-indol-3-yl)-2-pyrrolidin-1-ylethanone
CID 9033533

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone?
The IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone (CID 947076) is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone is Cc1[nH]c2ccccc2c1C(=O)CN1CCN(CCO)CC1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone?
The InChIKey is FHDXXIIWXOAHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-13-17(14-4-2-3-5-15(14)18-13)16(22)12-20-8-6-19(7-9-20)10-11-21/h2-5,18,21H,6-12H2,1H3.
What are the key properties of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone?
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone has a molecular weight of 301.39 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 947076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).