2-(4-acetyl-2-methoxyphenoxy)-1-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]ethanone

C20H24N4O4 — CID 71795068

IUPAC2-(4-acetyl-2-methoxyphenoxy)-1-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)N1CCN(c2ncncc2C)CC1
InChIInChI=1S/C20H24N4O4/c1-14-11-21-13-22-20(14)24-8-6-23(7-9-24)19(26)12-28-17-5-4-16(15(2)25)10-18(17)27-3/h4-5,10-11,13H,6-9,12H2,1-3H3
InChIKeyBQHQTNHDJWHTHU-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.72
Rot. Bonds6

About 2-(4-acetyl-2-methoxyphenoxy)-1-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]ethanone

2-(4-acetyl-2-methoxyphenoxy)-1-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]ethanone (PubChem CID 71795068) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-(4-acetyl-2-methoxyphenoxy)-1-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-acetyl-2-methoxyphenoxy)-1-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]ethanone
PubChem CID71795068
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name2-(4-acetyl-2-methoxyphenoxy)-1-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)N1CCN(c2ncncc2C)CC1
InChIInChI=1S/C20H24N4O4/c1-14-11-21-13-22-20(14)24-8-6-23(7-9-24)19(26)12-28-17-5-4-16(15(2)25)10-18(17)27-3/h4-5,10-11,13H,6-9,12H2,1-3H3
InChIKeyBQHQTNHDJWHTHU-UHFFFAOYSA-N
XLogP1.72
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(4-acetyl-2-methoxyphenoxy)-1-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-1-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-1-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]ethanone (CID 71795068) is 2-(4-acetyl-2-methoxyphenoxy)-1-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-acetyl-2-methoxyphenoxy)-1-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-acetyl-2-methoxyphenoxy)-1-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]ethanone is COc1cc(C(C)=O)ccc1OCC(=O)N1CCN(c2ncncc2C)CC1.
What is the InChIKey of 2-(4-acetyl-2-methoxyphenoxy)-1-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]ethanone?
The InChIKey is BQHQTNHDJWHTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-14-11-21-13-22-20(14)24-8-6-23(7-9-24)19(26)12-28-17-5-4-16(15(2)25)10-18(17)27-3/h4-5,10-11,13H,6-9,12H2,1-3H3.
What are the key properties of 2-(4-acetyl-2-methoxyphenoxy)-1-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]ethanone?
2-(4-acetyl-2-methoxyphenoxy)-1-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]ethanone has a molecular weight of 384.44 g/mol, XLogP of 1.72, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-methoxyphenoxy)-1-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 71795068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).