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

C13H18N2O3S — CID 108536457

IUPAC1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-thiophen-2-ylethanone
SMILESCOCC(=O)N1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C13H18N2O3S/c1-18-10-13(17)15-6-4-14(5-7-15)12(16)9-11-3-2-8-19-11/h2-3,8H,4-7,9-10H2,1H3
InChIKeyYIQZHLMBUWPRAM-UHFFFAOYSA-N
MW282.36 g/mol
LogP0.61
Rot. Bonds4

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

1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 108536457) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-thiophen-2-ylethanone
PubChem CID108536457
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-thiophen-2-ylethanone
SMILESCOCC(=O)N1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C13H18N2O3S/c1-18-10-13(17)15-6-4-14(5-7-15)12(16)9-11-3-2-8-19-11/h2-3,8H,4-7,9-10H2,1H3
InChIKeyYIQZHLMBUWPRAM-UHFFFAOYSA-N
XLogP0.61
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
1-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 110366127
3,3-dimethyl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]butan-1-one
CID 110818286
1-[4-(2-thiophen-2-ylacetyl)-1,4-diazepan-1-yl]propan-1-one
CID 110796443
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
2-(3,4-dimethoxyphenyl)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364994
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-(2-methoxy-5-methylphenyl)acetyl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 110802590
methyl 2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]benzoate
CID 113078375
1-[4-(2,6-dimethoxybenzoyl)-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone
CID 108544530

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-thiophen-2-ylethanone (CID 108536457) is 1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-thiophen-2-ylethanone is COCC(=O)N1CCN(C(=O)Cc2cccs2)CC1.
What is the InChIKey of 1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is YIQZHLMBUWPRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-18-10-13(17)15-6-4-14(5-7-15)12(16)9-11-3-2-8-19-11/h2-3,8H,4-7,9-10H2,1H3.
What are the key properties of 1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-thiophen-2-ylethanone?
1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 282.36 g/mol, XLogP of 0.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 108536457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).