1-[4-(4-ethoxyphenyl)piperazin-1-yl]-2-phenylethanone

C20H24N2O2 — CID 113077436

IUPAC1-[4-(4-ethoxyphenyl)piperazin-1-yl]-2-phenylethanone
SMILESCCOc1ccc(N2CCN(C(=O)Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N2O2/c1-2-24-19-10-8-18(9-11-19)21-12-14-22(15-13-21)20(23)16-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3
InChIKeySUWYQOXBBQUTTI-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.98
Rot. Bonds5

About 1-[4-(4-ethoxyphenyl)piperazin-1-yl]-2-phenylethanone

1-[4-(4-ethoxyphenyl)piperazin-1-yl]-2-phenylethanone (PubChem CID 113077436) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-[4-(4-ethoxyphenyl)piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-(4-ethoxyphenyl)piperazin-1-yl]-2-phenylethanone
PubChem CID113077436
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-[4-(4-ethoxyphenyl)piperazin-1-yl]-2-phenylethanone
SMILESCCOc1ccc(N2CCN(C(=O)Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N2O2/c1-2-24-19-10-8-18(9-11-19)21-12-14-22(15-13-21)20(23)16-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3
InChIKeySUWYQOXBBQUTTI-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_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[4-[2-(4-ethoxyphenyl)acetyl]-1,4-diazepan-1-yl]-2-phenylethanone
CID 108545578
1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-one
CID 90876902
1-[4-(4-ethoxybenzoyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 110808271
2-(4-ethoxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 17249493
2-[4-(4-ethoxyphenyl)piperazin-1-yl]-2-oxoacetic acid
CID 94287158
2-(4-ethoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 52892178
1-[4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-2-phenylethanone
CID 121106819
1-(4-aminopiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone
CID 82365897
ethyl 4-[2-(4-ethoxyphenyl)acetyl]piperazine-1-carboxylate
CID 78784884
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-ethoxybenzoate
CID 17447126
1-[2-(4-ethoxyphenyl)acetyl]piperidine-4-carboxylic acid
CID 43238969
2-(4-ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 55461138

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethoxyphenyl)piperazin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-(4-ethoxyphenyl)piperazin-1-yl]-2-phenylethanone (CID 113077436) is 1-[4-(4-ethoxyphenyl)piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-(4-ethoxyphenyl)piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-(4-ethoxyphenyl)piperazin-1-yl]-2-phenylethanone is CCOc1ccc(N2CCN(C(=O)Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-[4-(4-ethoxyphenyl)piperazin-1-yl]-2-phenylethanone?
The InChIKey is SUWYQOXBBQUTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-2-24-19-10-8-18(9-11-19)21-12-14-22(15-13-21)20(23)16-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3.
What are the key properties of 1-[4-(4-ethoxyphenyl)piperazin-1-yl]-2-phenylethanone?
1-[4-(4-ethoxyphenyl)piperazin-1-yl]-2-phenylethanone 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-ethoxyphenyl)piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 113077436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).