1-[4-(2,3-dihydrofuran-2-carbonyl)piperazin-1-yl]ethanone

C11H16N2O3 — CID 70309239

IUPAC1-[4-(2,3-dihydrofuran-2-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)C2CC=CO2)CC1
InChIInChI=1S/C11H16N2O3/c1-9(14)12-4-6-13(7-5-12)11(15)10-3-2-8-16-10/h2,8,10H,3-7H2,1H3
InChIKeyQYTJZEXUUADUSP-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.02
Rot. Bonds1

About 1-[4-(2,3-dihydrofuran-2-carbonyl)piperazin-1-yl]ethanone

1-[4-(2,3-dihydrofuran-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 70309239) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-[4-(2,3-dihydrofuran-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2,3-dihydrofuran-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID70309239
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name1-[4-(2,3-dihydrofuran-2-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)C2CC=CO2)CC1
InChIInChI=1S/C11H16N2O3/c1-9(14)12-4-6-13(7-5-12)11(15)10-3-2-8-16-10/h2,8,10H,3-7H2,1H3
InChIKeyQYTJZEXUUADUSP-UHFFFAOYSA-N
XLogP-0.02
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dihydrofuran-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(2,3-dihydrofuran-2-carbonyl)piperazin-1-yl]ethanone (CID 70309239) is 1-[4-(2,3-dihydrofuran-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2,3-dihydrofuran-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2,3-dihydrofuran-2-carbonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)C2CC=CO2)CC1.
What is the InChIKey of 1-[4-(2,3-dihydrofuran-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is QYTJZEXUUADUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-9(14)12-4-6-13(7-5-12)11(15)10-3-2-8-16-10/h2,8,10H,3-7H2,1H3.
What are the key properties of 1-[4-(2,3-dihydrofuran-2-carbonyl)piperazin-1-yl]ethanone?
1-[4-(2,3-dihydrofuran-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 224.26 g/mol, XLogP of -0.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dihydrofuran-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 70309239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).