2-[4-[2-(4-cyanophenoxy)acetyl]piperazin-1-yl]-N-ethylacetamide

C17H22N4O3 — CID 46448701

IUPAC2-[4-[2-(4-cyanophenoxy)acetyl]piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(C(=O)COc2ccc(C#N)cc2)CC1
InChIInChI=1S/C17H22N4O3/c1-2-19-16(22)12-20-7-9-21(10-8-20)17(23)13-24-15-5-3-14(11-18)4-6-15/h3-6H,2,7-10,12-13H2,1H3,(H,19,22)
InChIKeyGDZAHBHPVUICSL-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.22
Rot. Bonds6

About 2-[4-[2-(4-cyanophenoxy)acetyl]piperazin-1-yl]-N-ethylacetamide

2-[4-[2-(4-cyanophenoxy)acetyl]piperazin-1-yl]-N-ethylacetamide (PubChem CID 46448701) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[4-[2-(4-cyanophenoxy)acetyl]piperazin-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-[2-(4-cyanophenoxy)acetyl]piperazin-1-yl]-N-ethylacetamide
PubChem CID46448701
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name2-[4-[2-(4-cyanophenoxy)acetyl]piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(C(=O)COc2ccc(C#N)cc2)CC1
InChIInChI=1S/C17H22N4O3/c1-2-19-16(22)12-20-7-9-21(10-8-20)17(23)13-24-15-5-3-14(11-18)4-6-15/h3-6H,2,7-10,12-13H2,1H3,(H,19,22)
InChIKeyGDZAHBHPVUICSL-UHFFFAOYSA-N
XLogP0.22
TPSA85.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzonitrile
CID 2079009
4-[2-oxo-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethoxy]benzonitrile
CID 9109359
4-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethoxy]benzonitrile
CID 2435532
4-[[4-[2-[4-(trifluoromethyl)phenoxy]acetyl]piperazin-1-yl]methyl]benzonitrile
CID 46488101
2-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9021981
N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]acetamide
CID 78877421
4-[[4-[2-(4-acetylphenoxy)acetyl]-1,4-diazepan-1-yl]methyl]benzonitrile
CID 31342765
N-tert-butyl-2-[4-[2-(4-phenylphenoxy)acetyl]piperazin-1-yl]acetamide
CID 8505748
2-[4-[2-(4-tert-butylphenoxy)acetyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 31426677
2-[4-[(2S)-2-(4-cyanophenoxy)propanoyl]piperazin-1-yl]-N-methylacetamide
CID 94868085
2-[4-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]piperazin-1-yl]-N-propylacetamide
CID 134014558
2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 78897047

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-cyanophenoxy)acetyl]piperazin-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[4-[2-(4-cyanophenoxy)acetyl]piperazin-1-yl]-N-ethylacetamide (CID 46448701) is 2-[4-[2-(4-cyanophenoxy)acetyl]piperazin-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[4-[2-(4-cyanophenoxy)acetyl]piperazin-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[4-[2-(4-cyanophenoxy)acetyl]piperazin-1-yl]-N-ethylacetamide is CCNC(=O)CN1CCN(C(=O)COc2ccc(C#N)cc2)CC1.
What is the InChIKey of 2-[4-[2-(4-cyanophenoxy)acetyl]piperazin-1-yl]-N-ethylacetamide?
The InChIKey is GDZAHBHPVUICSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-2-19-16(22)12-20-7-9-21(10-8-20)17(23)13-24-15-5-3-14(11-18)4-6-15/h3-6H,2,7-10,12-13H2,1H3,(H,19,22).
What are the key properties of 2-[4-[2-(4-cyanophenoxy)acetyl]piperazin-1-yl]-N-ethylacetamide?
2-[4-[2-(4-cyanophenoxy)acetyl]piperazin-1-yl]-N-ethylacetamide has a molecular weight of 330.39 g/mol, XLogP of 0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-cyanophenoxy)acetyl]piperazin-1-yl]-N-ethylacetamide is sourced from PubChem (CID 46448701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).