1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,6-dimethylpiperazine-2,5-dione

C16H20N2O3 — CID 65442474

IUPAC1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,6-dimethylpiperazine-2,5-dione
SMILESCC1NC(=O)C(C)N(CCc2ccc3c(c2)CCO3)C1=O
InChIInChI=1S/C16H20N2O3/c1-10-16(20)18(11(2)15(19)17-10)7-5-12-3-4-14-13(9-12)6-8-21-14/h3-4,9-11H,5-8H2,1-2H3,(H,17,19)
InChIKeyGSDOJBYBEMYSHL-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.90
Rot. Bonds3

About 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,6-dimethylpiperazine-2,5-dione

1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,6-dimethylpiperazine-2,5-dione (PubChem CID 65442474) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,6-dimethylpiperazine-2,5-dione
PubChem CID65442474
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,6-dimethylpiperazine-2,5-dione
SMILESCC1NC(=O)C(C)N(CCc2ccc3c(c2)CCO3)C1=O
InChIInChI=1S/C16H20N2O3/c1-10-16(20)18(11(2)15(19)17-10)7-5-12-3-4-14-13(9-12)6-8-21-14/h3-4,9-11H,5-8H2,1-2H3,(H,17,19)
InChIKeyGSDOJBYBEMYSHL-UHFFFAOYSA-N
XLogP0.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.90
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
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]piperazine-2,5-dione
CID 65442473
3,6-dimethyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64872687
5-chloro-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrimidine-2,4-dione
CID 66424176
4-chloro-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine
CID 65445385
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-5,6-dimethylpyrimidin-4-one
CID 146130232
(5S)-3-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-5-methyl-2-sulfanylideneimidazolidin-4-one
CID 94744468
3,6-dimethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione
CID 64963601
3-cyclopropyl-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidine
CID 154807715
(3R)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-ol
CID 46220656
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methylpiperidin-4-amine
CID 65431601

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,6-dimethylpiperazine-2,5-dione (CID 65442474) is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,6-dimethylpiperazine-2,5-dione is CC1NC(=O)C(C)N(CCc2ccc3c(c2)CCO3)C1=O.
What is the InChIKey of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,6-dimethylpiperazine-2,5-dione?
The InChIKey is GSDOJBYBEMYSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10-16(20)18(11(2)15(19)17-10)7-5-12-3-4-14-13(9-12)6-8-21-14/h3-4,9-11H,5-8H2,1-2H3,(H,17,19).
What are the key properties of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,6-dimethylpiperazine-2,5-dione?
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,6-dimethylpiperazine-2,5-dione has a molecular weight of 288.35 g/mol, XLogP of 0.90, 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]-3,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 65442474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).