[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-methylthiophene-2-carboxylate

C18H20N2O3S — CID 2121446

IUPAC[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-methylthiophene-2-carboxylate
SMILESCc1ccsc1C(=O)OCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H20N2O3S/c1-14-7-12-24-17(14)18(22)23-13-16(21)20-10-8-19(9-11-20)15-5-3-2-4-6-15/h2-7,12H,8-11,13H2,1H3
InChIKeyFSDRRKDWYNRJLO-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.56
Rot. Bonds4

About [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-methylthiophene-2-carboxylate

[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-methylthiophene-2-carboxylate (PubChem CID 2121446) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-methylthiophene-2-carboxylate
PubChem CID2121446
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-methylthiophene-2-carboxylate
SMILESCc1ccsc1C(=O)OCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H20N2O3S/c1-14-7-12-24-17(14)18(22)23-13-16(21)20-10-8-19(9-11-20)15-5-3-2-4-6-15/h2-7,12H,8-11,13H2,1H3
InChIKeyFSDRRKDWYNRJLO-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-methylthiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[Benzyl(propan-2-yl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2413047
[(3-Fluorophenyl)carbamoyl]methyl 3-methylthiophene-2-carboxylate
CID 2502269
[2-[4-[Ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] thiophene-2-carboxylate
CID 2413185
[2-[(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2432753
[2-(N-methylanilino)-2-oxoethyl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate
CID 2668983
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 4208851
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 4330205
CID 11834431
CID 11834431
1-(1-{[5-(Methoxymethyl)-2-thienyl]carbonyl}-3-piperidinyl)-4-(2-methylphenyl)piperazine
CID 24790534
Thiophene-2-carboxylic acid (4-ethyl-phenylcarbamoyl)-methyl ester
CID 724429
Thiophene-2-carboxylic acid (2-ethyl-phenylcarbamoyl)-methyl ester
CID 724994
[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] thiophene-2-carboxylate
CID 2645812

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-methylthiophene-2-carboxylate?
The IUPAC name of [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-methylthiophene-2-carboxylate (CID 2121446) is [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-methylthiophene-2-carboxylate?
The canonical SMILES for [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-methylthiophene-2-carboxylate is Cc1ccsc1C(=O)OCC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-methylthiophene-2-carboxylate?
The InChIKey is FSDRRKDWYNRJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-14-7-12-24-17(14)18(22)23-13-16(21)20-10-8-19(9-11-20)15-5-3-2-4-6-15/h2-7,12H,8-11,13H2,1H3.
What are the key properties of [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-methylthiophene-2-carboxylate?
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-methylthiophene-2-carboxylate has a molecular weight of 344.44 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-methylthiophene-2-carboxylate is sourced from PubChem (CID 2121446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).