[2-[4-[2-(5-methylthiophene-2-carbonyl)oxyacetyl]piperazin-1-yl]-2-oxoethyl] 5-methylthiophene-2-carboxylate

C20H22N2O6S2 — CID 2502753

IUPAC[2-[4-[2-(5-methylthiophene-2-carbonyl)oxyacetyl]piperazin-1-yl]-2-oxoethyl] 5-methylthiophene-2-carboxylate
SMILESCc1ccc(C(=O)OCC(=O)N2CCN(C(=O)COC(=O)c3ccc(C)s3)CC2)s1
InChIInChI=1S/C20H22N2O6S2/c1-13-3-5-15(29-13)19(25)27-11-17(23)21-7-9-22(10-8-21)18(24)12-28-20(26)16-6-4-14(2)30-16/h3-6H,7-12H2,1-2H3
InChIKeyQRIYZSASNJIROE-UHFFFAOYSA-N
MW450.54 g/mol
LogP2.11
Rot. Bonds6

About [2-[4-[2-(5-methylthiophene-2-carbonyl)oxyacetyl]piperazin-1-yl]-2-oxoethyl] 5-methylthiophene-2-carboxylate

[2-[4-[2-(5-methylthiophene-2-carbonyl)oxyacetyl]piperazin-1-yl]-2-oxoethyl] 5-methylthiophene-2-carboxylate (PubChem CID 2502753) has the molecular formula C20H22N2O6S2 and a molecular weight of 450.54 g/mol. Its IUPAC name is [2-[4-[2-(5-methylthiophene-2-carbonyl)oxyacetyl]piperazin-1-yl]-2-oxoethyl] 5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-[4-[2-(5-methylthiophene-2-carbonyl)oxyacetyl]piperazin-1-yl]-2-oxoethyl] 5-methylthiophene-2-carboxylate
PubChem CID2502753
Molecular FormulaC20H22N2O6S2
Molecular Weight450.54 g/mol
Exact Mass450.09
IUPAC Name[2-[4-[2-(5-methylthiophene-2-carbonyl)oxyacetyl]piperazin-1-yl]-2-oxoethyl] 5-methylthiophene-2-carboxylate
SMILESCc1ccc(C(=O)OCC(=O)N2CCN(C(=O)COC(=O)c3ccc(C)s3)CC2)s1
InChIInChI=1S/C20H22N2O6S2/c1-13-3-5-15(29-13)19(25)27-11-17(23)21-7-9-22(10-8-21)18(24)12-28-20(26)16-6-4-14(2)30-16/h3-6H,7-12H2,1-2H3
InChIKeyQRIYZSASNJIROE-UHFFFAOYSA-N
XLogP2.11
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [2-[4-[2-(5-methylthiophene-2-carbonyl)oxyacetyl]piperazin-1-yl]-2-oxoethyl] 5-methylthiophene-2-carboxylate with MolForge

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Related Compounds

(2-oxo-2-piperidin-1-ylethyl) 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 35726305
4-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-4-oxobutanamide
CID 155937619
2-methoxyethyl 5-methylthiophene-2-carboxylate
CID 78830752
[2-(ethoxycarbonylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2628097
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 5-bromothiophene-2-carboxylate
CID 27263141
[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 31403115
(2-anilino-2-oxoethyl) 5-methylthiophene-2-carboxylate
CID 2503022
(2-oxo-2-piperidin-1-ylethyl) 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate
CID 18085272
(2-oxo-2-pyrrolidin-1-ylethyl) 5-(2-fluorophenyl)thiophene-2-carboxylate
CID 86979994
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 5-methylthiophene-2-carboxylate
CID 55458377
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 7837869
[2-(2,6-dimethylanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2335919

Frequently Asked Questions

What is the IUPAC name of [2-[4-[2-(5-methylthiophene-2-carbonyl)oxyacetyl]piperazin-1-yl]-2-oxoethyl] 5-methylthiophene-2-carboxylate?
The IUPAC name of [2-[4-[2-(5-methylthiophene-2-carbonyl)oxyacetyl]piperazin-1-yl]-2-oxoethyl] 5-methylthiophene-2-carboxylate (CID 2502753) is [2-[4-[2-(5-methylthiophene-2-carbonyl)oxyacetyl]piperazin-1-yl]-2-oxoethyl] 5-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-[4-[2-(5-methylthiophene-2-carbonyl)oxyacetyl]piperazin-1-yl]-2-oxoethyl] 5-methylthiophene-2-carboxylate?
The canonical SMILES for [2-[4-[2-(5-methylthiophene-2-carbonyl)oxyacetyl]piperazin-1-yl]-2-oxoethyl] 5-methylthiophene-2-carboxylate is Cc1ccc(C(=O)OCC(=O)N2CCN(C(=O)COC(=O)c3ccc(C)s3)CC2)s1.
What is the InChIKey of [2-[4-[2-(5-methylthiophene-2-carbonyl)oxyacetyl]piperazin-1-yl]-2-oxoethyl] 5-methylthiophene-2-carboxylate?
The InChIKey is QRIYZSASNJIROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6S2/c1-13-3-5-15(29-13)19(25)27-11-17(23)21-7-9-22(10-8-21)18(24)12-28-20(26)16-6-4-14(2)30-16/h3-6H,7-12H2,1-2H3.
What are the key properties of [2-[4-[2-(5-methylthiophene-2-carbonyl)oxyacetyl]piperazin-1-yl]-2-oxoethyl] 5-methylthiophene-2-carboxylate?
[2-[4-[2-(5-methylthiophene-2-carbonyl)oxyacetyl]piperazin-1-yl]-2-oxoethyl] 5-methylthiophene-2-carboxylate has a molecular weight of 450.54 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[2-(5-methylthiophene-2-carbonyl)oxyacetyl]piperazin-1-yl]-2-oxoethyl] 5-methylthiophene-2-carboxylate is sourced from PubChem (CID 2502753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).