2,3-dihydro-1,4-dioxin-5-yl-(4-ethylpiperazin-1-yl)methanone

C11H18N2O3 — CID 2359179

IUPAC2,3-dihydro-1,4-dioxin-5-yl-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)C2=COCCO2)CC1
InChIInChI=1S/C11H18N2O3/c1-2-12-3-5-13(6-4-12)11(14)10-9-15-7-8-16-10/h9H,2-8H2,1H3
InChIKeyJEVZRSMEUHZYNZ-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.04
Rot. Bonds2

About 2,3-dihydro-1,4-dioxin-5-yl-(4-ethylpiperazin-1-yl)methanone

2,3-dihydro-1,4-dioxin-5-yl-(4-ethylpiperazin-1-yl)methanone (PubChem CID 2359179) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2,3-dihydro-1,4-dioxin-5-yl-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-dioxin-5-yl-(4-ethylpiperazin-1-yl)methanone
PubChem CID2359179
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2,3-dihydro-1,4-dioxin-5-yl-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)C2=COCCO2)CC1
InChIInChI=1S/C11H18N2O3/c1-2-12-3-5-13(6-4-12)11(14)10-9-15-7-8-16-10/h9H,2-8H2,1H3
InChIKeyJEVZRSMEUHZYNZ-UHFFFAOYSA-N
XLogP0.04
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-dioxin-5-yl-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of 2,3-dihydro-1,4-dioxin-5-yl-(4-ethylpiperazin-1-yl)methanone (CID 2359179) is 2,3-dihydro-1,4-dioxin-5-yl-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1,4-dioxin-5-yl-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for 2,3-dihydro-1,4-dioxin-5-yl-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)C2=COCCO2)CC1.
What is the InChIKey of 2,3-dihydro-1,4-dioxin-5-yl-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is JEVZRSMEUHZYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-2-12-3-5-13(6-4-12)11(14)10-9-15-7-8-16-10/h9H,2-8H2,1H3.
What are the key properties of 2,3-dihydro-1,4-dioxin-5-yl-(4-ethylpiperazin-1-yl)methanone?
2,3-dihydro-1,4-dioxin-5-yl-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 226.28 g/mol, XLogP of 0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-dioxin-5-yl-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 2359179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).