1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazine-2,5-dione

C14H16N2O3 — CID 65442473

IUPAC1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazine-2,5-dione
SMILESO=C1CN(CCc2ccc3c(c2)CCO3)C(=O)CN1
InChIInChI=1S/C14H16N2O3/c17-13-9-16(14(18)8-15-13)5-3-10-1-2-12-11(7-10)4-6-19-12/h1-2,7H,3-6,8-9H2,(H,15,17)
InChIKeyLTDYNKVULKQMLU-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.12
Rot. Bonds3

About 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazine-2,5-dione

1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazine-2,5-dione (PubChem CID 65442473) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazine-2,5-dione
PubChem CID65442473
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazine-2,5-dione
SMILESO=C1CN(CCc2ccc3c(c2)CCO3)C(=O)CN1
InChIInChI=1S/C14H16N2O3/c17-13-9-16(14(18)8-15-13)5-3-10-1-2-12-11(7-10)4-6-19-12/h1-2,7H,3-6,8-9H2,(H,15,17)
InChIKeyLTDYNKVULKQMLU-UHFFFAOYSA-N
XLogP0.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylpiperazin-2-one
CID 65444415
4-(aminomethyl)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-2-one
CID 83552164
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methyl-1,4-diazepan-2-one
CID 65447258
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-5-oxopiperazine-2-carboxylic acid
CID 107439653
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712077
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-5,6-dimethylpyrimidin-4-one
CID 146130232
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,6-dimethylpiperazine-2,5-dione
CID 65442474
1-(1,3-benzodioxol-5-ylmethyl)piperazine-2,5-dione
CID 64955374
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095387
1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]ethanone
CID 163350132
5-chloro-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrimidine-2,4-dione
CID 66424176
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]imidazole
CID 65446900

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazine-2,5-dione?
The IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazine-2,5-dione (CID 65442473) is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazine-2,5-dione is O=C1CN(CCc2ccc3c(c2)CCO3)C(=O)CN1.
What is the InChIKey of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazine-2,5-dione?
The InChIKey is LTDYNKVULKQMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-13-9-16(14(18)8-15-13)5-3-10-1-2-12-11(7-10)4-6-19-12/h1-2,7H,3-6,8-9H2,(H,15,17).
What are the key properties of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazine-2,5-dione?
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazine-2,5-dione has a molecular weight of 260.29 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 65442473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).