1-(4-aminopiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone

C14H21N3O2 — CID 82365897

IUPAC1-(4-aminopiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone
SMILESCCOc1ccc(CC(=O)N2CCN(N)CC2)cc1
InChIInChI=1S/C14H21N3O2/c1-2-19-13-5-3-12(4-6-13)11-14(18)16-7-9-17(15)10-8-16/h3-6H,2,7-11,15H2,1H3
InChIKeyLEVUBDAEYHXLSV-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.65
Rot. Bonds4

About 1-(4-aminopiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone

1-(4-aminopiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone (PubChem CID 82365897) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(4-aminopiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-aminopiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone
PubChem CID82365897
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-(4-aminopiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone
SMILESCCOc1ccc(CC(=O)N2CCN(N)CC2)cc1
InChIInChI=1S/C14H21N3O2/c1-2-19-13-5-3-12(4-6-13)11-14(18)16-7-9-17(15)10-8-16/h3-6H,2,7-11,15H2,1H3
InChIKeyLEVUBDAEYHXLSV-UHFFFAOYSA-N
XLogP0.65
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[2-(4-ethoxyphenyl)acetyl]piperazine-1-carboxylate
CID 78784884
ethyl 4-[2-(4-ethoxyphenyl)acetyl]-1,4-diazepane-1-carboxylate
CID 110808925
2-(4-ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 55461138
2-(4-ethoxyphenyl)-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 95348538
1-[4-[2-(4-ethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 108547166
1-[4-[2-(4-ethoxyphenyl)acetyl]-1,4-diazepan-1-yl]-2-phenylethanone
CID 108545578
1-[2-(4-ethoxyphenyl)acetyl]piperidine-4-carboxylic acid
CID 43238969
1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-ethoxyphenyl)ethanone
CID 110743455
1-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55471046
2-(4-ethoxyphenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone
CID 6465047
2-(4-ethoxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 17249493
2-(4-ethoxyphenyl)-1-[4-[2-(4-ethylphenyl)-2-oxoethyl]piperazin-1-yl]ethanone
CID 110366779

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone?
The IUPAC name of 1-(4-aminopiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone (CID 82365897) is 1-(4-aminopiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone.
What is the SMILES notation for 1-(4-aminopiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone?
The canonical SMILES for 1-(4-aminopiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone is CCOc1ccc(CC(=O)N2CCN(N)CC2)cc1.
What is the InChIKey of 1-(4-aminopiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone?
The InChIKey is LEVUBDAEYHXLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-19-13-5-3-12(4-6-13)11-14(18)16-7-9-17(15)10-8-16/h3-6H,2,7-11,15H2,1H3.
What are the key properties of 1-(4-aminopiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone?
1-(4-aminopiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone has a molecular weight of 263.34 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone is sourced from PubChem (CID 82365897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).