ethyl 4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butanoate

C15H20N2O4S — CID 108569593

IUPACethyl 4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butanoate
SMILESCCOC(=O)CCC(=O)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C15H20N2O4S/c1-2-21-14(19)6-5-13(18)16-7-9-17(10-8-16)15(20)12-4-3-11-22-12/h3-4,11H,2,5-10H2,1H3
InChIKeyISRNBKVPKPLNDG-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.38
Rot. Bonds5

About ethyl 4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butanoate

ethyl 4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butanoate (PubChem CID 108569593) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is ethyl 4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butanoate.

Molecular Properties

Compound Nameethyl 4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butanoate
PubChem CID108569593
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Nameethyl 4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butanoate
SMILESCCOC(=O)CCC(=O)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C15H20N2O4S/c1-2-21-14(19)6-5-13(18)16-7-9-17(10-8-16)15(20)12-4-3-11-22-12/h3-4,11H,2,5-10H2,1H3
InChIKeyISRNBKVPKPLNDG-UHFFFAOYSA-N
XLogP1.38
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 60651403
4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butanoic acid
CID 28708467
ethyl 2-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetate
CID 10588916
1-phenyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butane-1,4-dione
CID 9022754
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
ethyl 2-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzoate
CID 113080733
2-(2-ethoxyphenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 108535595
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
ethyl 4-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-4-oxobutanoate
CID 108567802
3-(2-aminophenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one
CID 120608216
[4-(4-ethoxy-2,5-dimethylbenzoyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 110801945
[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-(2-methylphenoxy)acetate
CID 40692284

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butanoate?
The IUPAC name of ethyl 4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butanoate (CID 108569593) is ethyl 4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butanoate.
What is the SMILES notation for ethyl 4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butanoate?
The canonical SMILES for ethyl 4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butanoate is CCOC(=O)CCC(=O)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of ethyl 4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butanoate?
The InChIKey is ISRNBKVPKPLNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-2-21-14(19)6-5-13(18)16-7-9-17(10-8-16)15(20)12-4-3-11-22-12/h3-4,11H,2,5-10H2,1H3.
What are the key properties of ethyl 4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butanoate?
ethyl 4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butanoate has a molecular weight of 324.40 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butanoate is sourced from PubChem (CID 108569593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).