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

C19H19FN2O4S — CID 8509907

IUPAC[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-(4-fluorophenyl)acetate
SMILESO=C(Cc1ccc(F)cc1)OCC(=O)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C19H19FN2O4S/c20-15-5-3-14(4-6-15)12-18(24)26-13-17(23)21-7-9-22(10-8-21)19(25)16-2-1-11-27-16/h1-6,11H,7-10,12-13H2
InChIKeyJCMAMZXHJNEDQE-UHFFFAOYSA-N
MW390.44 g/mol
LogP1.96
Rot. Bonds5

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

[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-(4-fluorophenyl)acetate (PubChem CID 8509907) has the molecular formula C19H19FN2O4S and a molecular weight of 390.44 g/mol. Its IUPAC name is [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-(4-fluorophenyl)acetate
PubChem CID8509907
Molecular FormulaC19H19FN2O4S
Molecular Weight390.44 g/mol
Exact Mass390.10
IUPAC Name[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-(4-fluorophenyl)acetate
SMILESO=C(Cc1ccc(F)cc1)OCC(=O)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C19H19FN2O4S/c20-15-5-3-14(4-6-15)12-18(24)26-13-17(23)21-7-9-22(10-8-21)19(25)16-2-1-11-27-16/h1-6,11H,7-10,12-13H2
InChIKeyJCMAMZXHJNEDQE-UHFFFAOYSA-N
XLogP1.96
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-(2-methylphenoxy)acetate
CID 40692284
2-(4-chlorophenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 9022679
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 2362965
ethyl 4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butanoate
CID 108569593
2-(2-ethoxyphenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 108535595
[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 8520246
4-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethoxy]benzamide
CID 8608210
[4-[4-[(4-fluorophenoxy)methyl]thiophene-2-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 19469589
2-phenoxy-1-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110798120
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione
CID 46570598
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] thiophene-2-carboxylate
CID 2355144
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-(4-fluorophenyl)acetate?
The IUPAC name of [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-(4-fluorophenyl)acetate (CID 8509907) is [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-(4-fluorophenyl)acetate.
What is the SMILES notation for [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-(4-fluorophenyl)acetate?
The canonical SMILES for [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-(4-fluorophenyl)acetate is O=C(Cc1ccc(F)cc1)OCC(=O)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-(4-fluorophenyl)acetate?
The InChIKey is JCMAMZXHJNEDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4S/c20-15-5-3-14(4-6-15)12-18(24)26-13-17(23)21-7-9-22(10-8-21)19(25)16-2-1-11-27-16/h1-6,11H,7-10,12-13H2.
What are the key properties of [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-(4-fluorophenyl)acetate?
[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-(4-fluorophenyl)acetate has a molecular weight of 390.44 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-(4-fluorophenyl)acetate is sourced from PubChem (CID 8509907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).