4-[2-(1H-indol-3-yl)-2-oxoethyl]piperazin-2-one

C14H15N3O2 — CID 26304691

IUPAC4-[2-(1H-indol-3-yl)-2-oxoethyl]piperazin-2-one
SMILESO=C1CN(CC(=O)c2c[nH]c3ccccc23)CCN1
InChIInChI=1S/C14H15N3O2/c18-13(8-17-6-5-15-14(19)9-17)11-7-16-12-4-2-1-3-10(11)12/h1-4,7,16H,5-6,8-9H2,(H,15,19)
InChIKeyLTCGSTYGDUHUAI-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.78
Rot. Bonds3

About 4-[2-(1H-indol-3-yl)-2-oxoethyl]piperazin-2-one

4-[2-(1H-indol-3-yl)-2-oxoethyl]piperazin-2-one (PubChem CID 26304691) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-[2-(1H-indol-3-yl)-2-oxoethyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(1H-indol-3-yl)-2-oxoethyl]piperazin-2-one
PubChem CID26304691
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-[2-(1H-indol-3-yl)-2-oxoethyl]piperazin-2-one
SMILESO=C1CN(CC(=O)c2c[nH]c3ccccc23)CCN1
InChIInChI=1S/C14H15N3O2/c18-13(8-17-6-5-15-14(19)9-17)11-7-16-12-4-2-1-3-10(11)12/h1-4,7,16H,5-6,8-9H2,(H,15,19)
InChIKeyLTCGSTYGDUHUAI-UHFFFAOYSA-N
XLogP0.78
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(1H-indol-3-yl)ethanone
CID 63613529
1-(1H-indol-3-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 31872453
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 913234
1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidin-2-one
CID 14192560
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 115648322
2-(3,4-dimethylpiperazin-1-yl)-1-(1H-indol-3-yl)ethanone
CID 63608717
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 36880743
2-[4-(2-bromobenzoyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 110659733
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(1H-indol-3-yl)ethanone
CID 78950336
1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidine-3-carboxamide
CID 43226754

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-indol-3-yl)-2-oxoethyl]piperazin-2-one?
The IUPAC name of 4-[2-(1H-indol-3-yl)-2-oxoethyl]piperazin-2-one (CID 26304691) is 4-[2-(1H-indol-3-yl)-2-oxoethyl]piperazin-2-one.
What is the SMILES notation for 4-[2-(1H-indol-3-yl)-2-oxoethyl]piperazin-2-one?
The canonical SMILES for 4-[2-(1H-indol-3-yl)-2-oxoethyl]piperazin-2-one is O=C1CN(CC(=O)c2c[nH]c3ccccc23)CCN1.
What is the InChIKey of 4-[2-(1H-indol-3-yl)-2-oxoethyl]piperazin-2-one?
The InChIKey is LTCGSTYGDUHUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-13(8-17-6-5-15-14(19)9-17)11-7-16-12-4-2-1-3-10(11)12/h1-4,7,16H,5-6,8-9H2,(H,15,19).
What are the key properties of 4-[2-(1H-indol-3-yl)-2-oxoethyl]piperazin-2-one?
4-[2-(1H-indol-3-yl)-2-oxoethyl]piperazin-2-one has a molecular weight of 257.29 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-indol-3-yl)-2-oxoethyl]piperazin-2-one is sourced from PubChem (CID 26304691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).