1-(4-ethylpiperazin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone

C20H26N2O3 — CID 2411958

IUPAC1-(4-ethylpiperazin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone
SMILESCCN1CCN(C(=O)COc2ccc3oc4c(c3c2)CCCC4)CC1
InChIInChI=1S/C20H26N2O3/c1-2-21-9-11-22(12-10-21)20(23)14-24-15-7-8-19-17(13-15)16-5-3-4-6-18(16)25-19/h7-8,13H,2-6,9-12,14H2,1H3
InChIKeyHAPFXZBVJJJARI-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.85
Rot. Bonds4

About 1-(4-ethylpiperazin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone

1-(4-ethylpiperazin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone (PubChem CID 2411958) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone
PubChem CID2411958
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-(4-ethylpiperazin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone
SMILESCCN1CCN(C(=O)COc2ccc3oc4c(c3c2)CCCC4)CC1
InChIInChI=1S/C20H26N2O3/c1-2-21-9-11-22(12-10-21)20(23)14-24-15-7-8-19-17(13-15)16-5-3-4-6-18(16)25-19/h7-8,13H,2-6,9-12,14H2,1H3
InChIKeyHAPFXZBVJJJARI-UHFFFAOYSA-N
XLogP2.85
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone (CID 2411958) is 1-(4-ethylpiperazin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone is CCN1CCN(C(=O)COc2ccc3oc4c(c3c2)CCCC4)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone?
The InChIKey is HAPFXZBVJJJARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-2-21-9-11-22(12-10-21)20(23)14-24-15-7-8-19-17(13-15)16-5-3-4-6-18(16)25-19/h7-8,13H,2-6,9-12,14H2,1H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone?
1-(4-ethylpiperazin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone has a molecular weight of 342.44 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone is sourced from PubChem (CID 2411958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).