2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide

C20H27N3OS — CID 9028686

IUPAC2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
SMILESCc1cccc(N2CCN(CC(=O)NCCc3cccs3)CC2)c1C
InChIInChI=1S/C20H27N3OS/c1-16-5-3-7-19(17(16)2)23-12-10-22(11-13-23)15-20(24)21-9-8-18-6-4-14-25-18/h3-7,14H,8-13,15H2,1-2H3,(H,21,24)
InChIKeyXQIZYEJAHAZASZ-UHFFFAOYSA-N
MW357.52 g/mol
LogP2.85
Rot. Bonds6

About 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide

2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 9028686) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID9028686
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC Name2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
SMILESCc1cccc(N2CCN(CC(=O)NCCc3cccs3)CC2)c1C
InChIInChI=1S/C20H27N3OS/c1-16-5-3-7-19(17(16)2)23-12-10-22(11-13-23)15-20(24)21-9-8-18-6-4-14-25-18/h3-7,14H,8-13,15H2,1-2H3,(H,21,24)
InChIKeyXQIZYEJAHAZASZ-UHFFFAOYSA-N
XLogP2.85
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide 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-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 9026865
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide
CID 8582985
N-[2-(2-methylphenyl)ethyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
CID 8834788
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 78769597
2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 78807578
N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
CID 6469246
2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 115305099
(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 9460133
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 46056291
2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 81493901
N-(2-thiophen-2-ylethyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 9040790
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 17438368

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide (CID 9028686) is 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide is Cc1cccc(N2CCN(CC(=O)NCCc3cccs3)CC2)c1C.
What is the InChIKey of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is XQIZYEJAHAZASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-16-5-3-7-19(17(16)2)23-12-10-22(11-13-23)15-20(24)21-9-8-18-6-4-14-25-18/h3-7,14H,8-13,15H2,1-2H3,(H,21,24).
What are the key properties of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 357.52 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 9028686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).