1-(4-pyridin-2-ylpiperazin-1-yl)-2-(2,3,5-trimethylphenoxy)ethanone

C20H25N3O2 — CID 893229

IUPAC1-(4-pyridin-2-ylpiperazin-1-yl)-2-(2,3,5-trimethylphenoxy)ethanone
SMILESCc1cc(C)c(C)c(OCC(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C20H25N3O2/c1-15-12-16(2)17(3)18(13-15)25-14-20(24)23-10-8-22(9-11-23)19-6-4-5-7-21-19/h4-7,12-13H,8-11,14H2,1-3H3
InChIKeyQBNAZALJHQGLOM-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.73
Rot. Bonds4

About 1-(4-pyridin-2-ylpiperazin-1-yl)-2-(2,3,5-trimethylphenoxy)ethanone

1-(4-pyridin-2-ylpiperazin-1-yl)-2-(2,3,5-trimethylphenoxy)ethanone (PubChem CID 893229) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(4-pyridin-2-ylpiperazin-1-yl)-2-(2,3,5-trimethylphenoxy)ethanone.

Molecular Properties

Compound Name1-(4-pyridin-2-ylpiperazin-1-yl)-2-(2,3,5-trimethylphenoxy)ethanone
PubChem CID893229
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-(4-pyridin-2-ylpiperazin-1-yl)-2-(2,3,5-trimethylphenoxy)ethanone
SMILESCc1cc(C)c(C)c(OCC(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C20H25N3O2/c1-15-12-16(2)17(3)18(13-15)25-14-20(24)23-10-8-22(9-11-23)19-6-4-5-7-21-19/h4-7,12-13H,8-11,14H2,1-3H3
InChIKeyQBNAZALJHQGLOM-UHFFFAOYSA-N
XLogP2.73
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-pyridin-2-ylpiperazin-1-yl)-2-(2,3,5-trimethylphenoxy)ethanone?
The IUPAC name of 1-(4-pyridin-2-ylpiperazin-1-yl)-2-(2,3,5-trimethylphenoxy)ethanone (CID 893229) is 1-(4-pyridin-2-ylpiperazin-1-yl)-2-(2,3,5-trimethylphenoxy)ethanone.
What is the SMILES notation for 1-(4-pyridin-2-ylpiperazin-1-yl)-2-(2,3,5-trimethylphenoxy)ethanone?
The canonical SMILES for 1-(4-pyridin-2-ylpiperazin-1-yl)-2-(2,3,5-trimethylphenoxy)ethanone is Cc1cc(C)c(C)c(OCC(=O)N2CCN(c3ccccn3)CC2)c1.
What is the InChIKey of 1-(4-pyridin-2-ylpiperazin-1-yl)-2-(2,3,5-trimethylphenoxy)ethanone?
The InChIKey is QBNAZALJHQGLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-12-16(2)17(3)18(13-15)25-14-20(24)23-10-8-22(9-11-23)19-6-4-5-7-21-19/h4-7,12-13H,8-11,14H2,1-3H3.
What are the key properties of 1-(4-pyridin-2-ylpiperazin-1-yl)-2-(2,3,5-trimethylphenoxy)ethanone?
1-(4-pyridin-2-ylpiperazin-1-yl)-2-(2,3,5-trimethylphenoxy)ethanone has a molecular weight of 339.44 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyridin-2-ylpiperazin-1-yl)-2-(2,3,5-trimethylphenoxy)ethanone is sourced from PubChem (CID 893229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).