4-(2-amino-1-thiophen-3-ylethyl)-1-methylpiperazin-2-one

C11H17N3OS — CID 64680050

IUPAC4-(2-amino-1-thiophen-3-ylethyl)-1-methylpiperazin-2-one
SMILESCN1CCN(C(CN)c2ccsc2)CC1=O
InChIInChI=1S/C11H17N3OS/c1-13-3-4-14(7-11(13)15)10(6-12)9-2-5-16-8-9/h2,5,8,10H,3-4,6-7,12H2,1H3
InChIKeyJIPCYRCFIGDBLW-UHFFFAOYSA-N
MW239.34 g/mol
LogP0.52
Rot. Bonds3

About 4-(2-amino-1-thiophen-3-ylethyl)-1-methylpiperazin-2-one

4-(2-amino-1-thiophen-3-ylethyl)-1-methylpiperazin-2-one (PubChem CID 64680050) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 4-(2-amino-1-thiophen-3-ylethyl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-amino-1-thiophen-3-ylethyl)-1-methylpiperazin-2-one
PubChem CID64680050
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name4-(2-amino-1-thiophen-3-ylethyl)-1-methylpiperazin-2-one
SMILESCN1CCN(C(CN)c2ccsc2)CC1=O
InChIInChI=1S/C11H17N3OS/c1-13-3-4-14(7-11(13)15)10(6-12)9-2-5-16-8-9/h2,5,8,10H,3-4,6-7,12H2,1H3
InChIKeyJIPCYRCFIGDBLW-UHFFFAOYSA-N
XLogP0.52
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-amino-1-thiophen-3-ylethyl)-1-methylpiperazin-2-one 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

4-[2-amino-1-(3-methoxyphenyl)ethyl]-1-methylpiperazin-2-one
CID 64681749
2-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylethanamine
CID 43100105
4-(1-aminopropan-2-yl)-1-methylpiperazin-2-one
CID 64680480
2-[4-(2-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylethanamine
CID 43118100
4-(2-amino-1-thiophen-3-ylethyl)-3-methylpiperazin-2-one
CID 63595243
4-(1-amino-3,3-dimethylbutan-2-yl)-1-methylpiperazin-2-one
CID 64682377
2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-thiophen-3-ylethanamine
CID 55011117
N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]propanamide
CID 16931459
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide
CID 16931487
1-[(1S)-1-thiophen-3-ylpropyl]piperazine
CID 131188138
4-[2-amino-1-(3-methylthiophen-2-yl)butyl]-1-methylpiperazin-2-one
CID 64682162
2-(3,4-dihydro-2H-quinolin-1-yl)-2-thiophen-3-ylethanamine
CID 16792564

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1-thiophen-3-ylethyl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(2-amino-1-thiophen-3-ylethyl)-1-methylpiperazin-2-one (CID 64680050) is 4-(2-amino-1-thiophen-3-ylethyl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(2-amino-1-thiophen-3-ylethyl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(2-amino-1-thiophen-3-ylethyl)-1-methylpiperazin-2-one is CN1CCN(C(CN)c2ccsc2)CC1=O.
What is the InChIKey of 4-(2-amino-1-thiophen-3-ylethyl)-1-methylpiperazin-2-one?
The InChIKey is JIPCYRCFIGDBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-13-3-4-14(7-11(13)15)10(6-12)9-2-5-16-8-9/h2,5,8,10H,3-4,6-7,12H2,1H3.
What are the key properties of 4-(2-amino-1-thiophen-3-ylethyl)-1-methylpiperazin-2-one?
4-(2-amino-1-thiophen-3-ylethyl)-1-methylpiperazin-2-one has a molecular weight of 239.34 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1-thiophen-3-ylethyl)-1-methylpiperazin-2-one is sourced from PubChem (CID 64680050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).