1-[4-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone

C20H24N2O2 — CID 113075907

IUPAC1-[4-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone
SMILESCCc1ccc(N2CCN(C(=O)COc3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N2O2/c1-2-17-8-10-18(11-9-17)21-12-14-22(15-13-21)20(23)16-24-19-6-4-3-5-7-19/h3-11H,2,12-16H2,1H3
InChIKeyUZAUTULJMWVALJ-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.98
Rot. Bonds5

About 1-[4-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone

1-[4-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone (PubChem CID 113075907) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-[4-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[4-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone
PubChem CID113075907
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-[4-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone
SMILESCCc1ccc(N2CCN(C(=O)COc3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N2O2/c1-2-17-8-10-18(11-9-17)21-12-14-22(15-13-21)20(23)16-24-19-6-4-3-5-7-19/h3-11H,2,12-16H2,1H3
InChIKeyUZAUTULJMWVALJ-UHFFFAOYSA-N
XLogP2.98
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-phenoxy-1-[4-(4-phenoxyphenyl)piperazin-1-yl]ethanone
CID 113079212
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenoxyethanone
CID 8866833
1-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]-2-phenoxyethanone
CID 113079057
2-phenoxy-1-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]ethanone
CID 113077730
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
2-phenoxy-1-[4-[2-(4-propylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108535883
4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzaldehyde
CID 2215551
2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 56698277
N-methyl-N-[[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]methyl]methanesulfonamide
CID 21173908
1-[4-(4-ethoxyphenyl)piperazin-1-yl]-2-phenylethanone
CID 113077436
1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-one
CID 90876902
ethyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate
CID 807888

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[4-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone (CID 113075907) is 1-[4-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[4-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[4-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone is CCc1ccc(N2CCN(C(=O)COc3ccccc3)CC2)cc1.
What is the InChIKey of 1-[4-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone?
The InChIKey is UZAUTULJMWVALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-2-17-8-10-18(11-9-17)21-12-14-22(15-13-21)20(23)16-24-19-6-4-3-5-7-19/h3-11H,2,12-16H2,1H3.
What are the key properties of 1-[4-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone?
1-[4-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone has a molecular weight of 324.42 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 113075907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).