4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-3-methylpiperazine-2,6-dione

C15H14N2O4 — CID 66061590

IUPAC4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1CC(=O)c1cc2ccccc2o1
InChIInChI=1S/C15H14N2O4/c1-9-15(20)16-14(19)8-17(9)7-11(18)13-6-10-4-2-3-5-12(10)21-13/h2-6,9H,7-8H2,1H3,(H,16,19,20)
InChIKeyKBDYCWIABHOCOT-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.96
Rot. Bonds3

About 4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-3-methylpiperazine-2,6-dione

4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-3-methylpiperazine-2,6-dione (PubChem CID 66061590) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-3-methylpiperazine-2,6-dione
PubChem CID66061590
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1CC(=O)c1cc2ccccc2o1
InChIInChI=1S/C15H14N2O4/c1-9-15(20)16-14(19)8-17(9)7-11(18)13-6-10-4-2-3-5-12(10)21-13/h2-6,9H,7-8H2,1H3,(H,16,19,20)
InChIKeyKBDYCWIABHOCOT-UHFFFAOYSA-N
XLogP0.96
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(1-benzofuran-2-yl)-2-(1,3-dihydroisoindol-2-yl)ethanone
CID 62206433
1-[2-(1-benzofuran-2-yl)-2-oxoethyl]pyridin-2-one
CID 60774223
3-[2-(1-benzofuran-2-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 60624376
3-methyl-4-[2-(4-methylsulfanylphenyl)-2-oxoethyl]piperazine-2,6-dione
CID 66061399
(5R,6S)-3-[2-(1-benzofuran-2-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 41410569
1-(1-benzofuran-2-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethanone
CID 43797305
1-(1-benzofuran-2-yl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanone
CID 62974685
1-(1-benzofuran-2-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62024611
1-(1-benzofuran-2-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanone
CID 61445139
3-methyl-4-(3-methyl-2-oxobutyl)piperazine-2,6-dione
CID 79395845
1-(1-benzofuran-2-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanone
CID 102960519
1-[2-(1-benzofuran-2-yl)-2-oxoethyl]azocan-2-one
CID 62018083

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-3-methylpiperazine-2,6-dione (CID 66061590) is 4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-3-methylpiperazine-2,6-dione is CC1C(=O)NC(=O)CN1CC(=O)c1cc2ccccc2o1.
What is the InChIKey of 4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-3-methylpiperazine-2,6-dione?
The InChIKey is KBDYCWIABHOCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-9-15(20)16-14(19)8-17(9)7-11(18)13-6-10-4-2-3-5-12(10)21-13/h2-6,9H,7-8H2,1H3,(H,16,19,20).
What are the key properties of 4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-3-methylpiperazine-2,6-dione?
4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-3-methylpiperazine-2,6-dione has a molecular weight of 286.29 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-benzofuran-2-yl)-2-oxoethyl]-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 66061590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).