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

C20H22N2O5S — CID 40692284

IUPAC[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)OCC(=O)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C20H22N2O5S/c1-15-5-2-3-6-16(15)26-14-19(24)27-13-18(23)21-8-10-22(11-9-21)20(25)17-7-4-12-28-17/h2-7,12H,8-11,13-14H2,1H3
InChIKeyUBFGYOQBYXFRBL-UHFFFAOYSA-N
MW402.47 g/mol
LogP1.96
Rot. Bonds6

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

[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-(2-methylphenoxy)acetate (PubChem CID 40692284) has the molecular formula C20H22N2O5S and a molecular weight of 402.47 g/mol. Its IUPAC name is [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-(2-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-(2-methylphenoxy)acetate
PubChem CID40692284
Molecular FormulaC20H22N2O5S
Molecular Weight402.47 g/mol
Exact Mass402.12
IUPAC Name[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)OCC(=O)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C20H22N2O5S/c1-15-5-2-3-6-16(15)26-14-19(24)27-13-18(23)21-8-10-22(11-9-21)20(25)17-7-4-12-28-17/h2-7,12H,8-11,13-14H2,1H3
InChIKeyUBFGYOQBYXFRBL-UHFFFAOYSA-N
XLogP1.96
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-(2-methylphenoxy)acetate with MolForge

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Related Compounds

2-(2-ethoxyphenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 108535595
[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 86977989
2-(2-ethoxyphenoxy)-1-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 108546420
1-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 110366127
[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-(4-fluorophenyl)acetate
CID 8509907
ethyl 4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butanoate
CID 108569593
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 39712313
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 5078651
ethyl 4-[2-(2-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 807890
2-phenoxy-1-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110798120
1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 39572448
(2-methylphenyl)-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798106

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-(2-methylphenoxy)acetate?
The IUPAC name of [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-(2-methylphenoxy)acetate (CID 40692284) is [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-(2-methylphenoxy)acetate.
What is the SMILES notation for [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-(2-methylphenoxy)acetate?
The canonical SMILES for [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-(2-methylphenoxy)acetate is Cc1ccccc1OCC(=O)OCC(=O)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-(2-methylphenoxy)acetate?
The InChIKey is UBFGYOQBYXFRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5S/c1-15-5-2-3-6-16(15)26-14-19(24)27-13-18(23)21-8-10-22(11-9-21)20(25)17-7-4-12-28-17/h2-7,12H,8-11,13-14H2,1H3.
What are the key properties of [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-(2-methylphenoxy)acetate?
[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-(2-methylphenoxy)acetate has a molecular weight of 402.47 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-(2-methylphenoxy)acetate is sourced from PubChem (CID 40692284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).