1-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-2-thiophen-2-ylethanone

C19H22N2O3S — CID 110366127

IUPAC1-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-2-thiophen-2-ylethanone
SMILESCc1ccccc1OCC(=O)N1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C19H22N2O3S/c1-15-5-2-3-7-17(15)24-14-19(23)21-10-8-20(9-11-21)18(22)13-16-6-4-12-25-16/h2-7,12H,8-11,13-14H2,1H3
InChIKeyAIHNVEPQDWJBPW-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.35
Rot. Bonds5

About 1-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-2-thiophen-2-ylethanone

1-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 110366127) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 1-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-2-thiophen-2-ylethanone
PubChem CID110366127
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name1-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-2-thiophen-2-ylethanone
SMILESCc1ccccc1OCC(=O)N1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C19H22N2O3S/c1-15-5-2-3-7-17(15)24-14-19(23)21-10-8-20(9-11-21)18(22)13-16-6-4-12-25-16/h2-7,12H,8-11,13-14H2,1H3
InChIKeyAIHNVEPQDWJBPW-UHFFFAOYSA-N
XLogP2.35
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 110638250
1-[4-[2-(2-ethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone
CID 108546404
1-[4-[2-(2-ethylphenoxy)acetyl]-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone
CID 108547283
1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 108536457
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 110818300
1-[4-[2-(4-methylphenoxy)acetyl]-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone
CID 110798611
ethyl 4-[2-(2-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 807890
[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-(2-methylphenoxy)acetate
CID 40692284
1-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110818889
2-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]acetic acid
CID 2050633
4-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-4-oxobutanoate
CID 2050274

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-2-thiophen-2-ylethanone (CID 110366127) is 1-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-2-thiophen-2-ylethanone is Cc1ccccc1OCC(=O)N1CCN(C(=O)Cc2cccs2)CC1.
What is the InChIKey of 1-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is AIHNVEPQDWJBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-15-5-2-3-7-17(15)24-14-19(23)21-10-8-20(9-11-21)18(22)13-16-6-4-12-25-16/h2-7,12H,8-11,13-14H2,1H3.
What are the key properties of 1-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-2-thiophen-2-ylethanone?
1-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 358.46 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 110366127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).