1-(2,3-dihydrofuran-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone

C12H20N2O2 — CID 102651080

IUPAC1-(2,3-dihydrofuran-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone
SMILESCN1CCN(C)C(CC(=O)C2=CCCO2)C1
InChIInChI=1S/C12H20N2O2/c1-13-5-6-14(2)10(9-13)8-11(15)12-4-3-7-16-12/h4,10H,3,5-9H2,1-2H3
InChIKeyXSMUOZTXNPDXJO-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.50
Rot. Bonds3

About 1-(2,3-dihydrofuran-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone

1-(2,3-dihydrofuran-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone (PubChem CID 102651080) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone
PubChem CID102651080
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-(2,3-dihydrofuran-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone
SMILESCN1CCN(C)C(CC(=O)C2=CCCO2)C1
InChIInChI=1S/C12H20N2O2/c1-13-5-6-14(2)10(9-13)8-11(15)12-4-3-7-16-12/h4,10H,3,5-9H2,1-2H3
InChIKeyXSMUOZTXNPDXJO-UHFFFAOYSA-N
XLogP0.50
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone (CID 102651080) is 1-(2,3-dihydrofuran-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone is CN1CCN(C)C(CC(=O)C2=CCCO2)C1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone?
The InChIKey is XSMUOZTXNPDXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-13-5-6-14(2)10(9-13)8-11(15)12-4-3-7-16-12/h4,10H,3,5-9H2,1-2H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone?
1-(2,3-dihydrofuran-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone has a molecular weight of 224.30 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone is sourced from PubChem (CID 102651080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).