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

C18H20N2O3S — CID 113080733

IUPACethyl 2-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzoate
SMILESCCOC(=O)c1ccccc1N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C18H20N2O3S/c1-2-23-18(22)14-6-3-4-7-15(14)19-9-11-20(12-10-19)17(21)16-8-5-13-24-16/h3-8,13H,2,9-12H2,1H3
InChIKeyGTUFQXJDDMOLQT-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.89
Rot. Bonds4

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

ethyl 2-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzoate (PubChem CID 113080733) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is ethyl 2-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzoate.

Molecular Properties

Compound Nameethyl 2-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzoate
PubChem CID113080733
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Nameethyl 2-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzoate
SMILESCCOC(=O)c1ccccc1N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C18H20N2O3S/c1-2-23-18(22)14-6-3-4-7-15(14)19-9-11-20(12-10-19)17(21)16-8-5-13-24-16/h3-8,13H,2,9-12H2,1H3
InChIKeyGTUFQXJDDMOLQT-UHFFFAOYSA-N
XLogP2.89
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 133471014
ethyl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]benzoate
CID 113080740
ethyl 4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butanoate
CID 108569593
ethyl 2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzoate
CID 17224095
ethyl 2-[4-(3-fluorobenzoyl)piperazin-1-yl]benzoate
CID 113080739
ethyl 2-[4-(3-methoxybenzoyl)piperazin-1-yl]benzoate
CID 113080742
2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 17428471
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
ethyl 2-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetate
CID 10588916
ethyl 2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]benzoate
CID 113080764
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 60651403
2-(2-ethoxyphenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 108535595

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzoate?
The IUPAC name of ethyl 2-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzoate (CID 113080733) is ethyl 2-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzoate.
What is the SMILES notation for ethyl 2-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzoate?
The canonical SMILES for ethyl 2-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzoate is CCOC(=O)c1ccccc1N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of ethyl 2-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzoate?
The InChIKey is GTUFQXJDDMOLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-2-23-18(22)14-6-3-4-7-15(14)19-9-11-20(12-10-19)17(21)16-8-5-13-24-16/h3-8,13H,2,9-12H2,1H3.
What are the key properties of ethyl 2-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzoate?
ethyl 2-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzoate has a molecular weight of 344.44 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzoate is sourced from PubChem (CID 113080733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).