2-(3-acetylphenoxy)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone

C21H24N2O3 — CID 55394267

IUPAC2-(3-acetylphenoxy)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone
SMILESCC(=O)c1cccc(OCC(=O)N2CCN(C)CC2c2ccccc2)c1
InChIInChI=1S/C21H24N2O3/c1-16(24)18-9-6-10-19(13-18)26-15-21(25)23-12-11-22(2)14-20(23)17-7-4-3-5-8-17/h3-10,13,20H,11-12,14-15H2,1-2H3
InChIKeyPFDWIOVTXLBYOH-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.78
Rot. Bonds5

About 2-(3-acetylphenoxy)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone

2-(3-acetylphenoxy)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone (PubChem CID 55394267) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone
PubChem CID55394267
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name2-(3-acetylphenoxy)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone
SMILESCC(=O)c1cccc(OCC(=O)N2CCN(C)CC2c2ccccc2)c1
InChIInChI=1S/C21H24N2O3/c1-16(24)18-9-6-10-19(13-18)26-15-21(25)23-12-11-22(2)14-20(23)17-7-4-3-5-8-17/h3-10,13,20H,11-12,14-15H2,1-2H3
InChIKeyPFDWIOVTXLBYOH-UHFFFAOYSA-N
XLogP2.78
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(3-acetylphenoxy)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone (CID 55394267) is 2-(3-acetylphenoxy)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(3-acetylphenoxy)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(3-acetylphenoxy)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone is CC(=O)c1cccc(OCC(=O)N2CCN(C)CC2c2ccccc2)c1.
What is the InChIKey of 2-(3-acetylphenoxy)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone?
The InChIKey is PFDWIOVTXLBYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-16(24)18-9-6-10-19(13-18)26-15-21(25)23-12-11-22(2)14-20(23)17-7-4-3-5-8-17/h3-10,13,20H,11-12,14-15H2,1-2H3.
What are the key properties of 2-(3-acetylphenoxy)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone?
2-(3-acetylphenoxy)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone has a molecular weight of 352.43 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 55394267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).