4-[2-(methylamino)acetyl]-3-thiophen-2-ylpiperazin-2-one

C11H15N3O2S — CID 119801487

IUPAC4-[2-(methylamino)acetyl]-3-thiophen-2-ylpiperazin-2-one
SMILESCNCC(=O)N1CCNC(=O)C1c1cccs1
InChIInChI=1S/C11H15N3O2S/c1-12-7-9(15)14-5-4-13-11(16)10(14)8-3-2-6-17-8/h2-3,6,10,12H,4-5,7H2,1H3,(H,13,16)
InChIKeyKTFGATNVHPUQNV-UHFFFAOYSA-N
MW253.33 g/mol
LogP-0.03
Rot. Bonds3

About 4-[2-(methylamino)acetyl]-3-thiophen-2-ylpiperazin-2-one

4-[2-(methylamino)acetyl]-3-thiophen-2-ylpiperazin-2-one (PubChem CID 119801487) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 4-[2-(methylamino)acetyl]-3-thiophen-2-ylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(methylamino)acetyl]-3-thiophen-2-ylpiperazin-2-one
PubChem CID119801487
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name4-[2-(methylamino)acetyl]-3-thiophen-2-ylpiperazin-2-one
SMILESCNCC(=O)N1CCNC(=O)C1c1cccs1
InChIInChI=1S/C11H15N3O2S/c1-12-7-9(15)14-5-4-13-11(16)10(14)8-3-2-6-17-8/h2-3,6,10,12H,4-5,7H2,1H3,(H,13,16)
InChIKeyKTFGATNVHPUQNV-UHFFFAOYSA-N
XLogP-0.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-(methylamino)acetyl]-3-thiophen-2-ylpiperazin-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-[4-(methylamino)butanoyl]-3-thiophen-2-ylpiperazin-2-one;hydrochloride
CID 119801478
3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide
CID 3070020
(3R)-4-[2-[(1S,2R)-2-phenylcyclopropyl]acetyl]-3-thiophen-2-ylpiperazin-2-one
CID 100641562
4-(2-thiomorpholin-3-ylacetyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride
CID 119939774
4-(piperidine-4-carbonyl)-3-thiophen-2-ylpiperazin-2-one
CID 119333805
trans-(1R,2R)-2-[(2S)-3-oxo-2-thiophen-2-ylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 129466992
4-[4-(aminomethyl)benzoyl]-3-thiophen-2-ylpiperazin-2-one;hydrochloride
CID 119333806
N-(5-methyl-1,2-oxazol-3-yl)-3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide
CID 71870427
(3R)-4-[(2R)-2-cyclopentyloxybutanoyl]-3-thiophen-2-ylpiperazin-2-one
CID 95898826
N-(3-chlorophenyl)-3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide
CID 13120683
4-(2-hydroxyethyl)-3-thiophen-2-ylpiperazin-2-one
CID 3070021
4-(1-hydroxyethyl)-3-thiophen-2-ylpiperazin-2-one
CID 23315287

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylamino)acetyl]-3-thiophen-2-ylpiperazin-2-one?
The IUPAC name of 4-[2-(methylamino)acetyl]-3-thiophen-2-ylpiperazin-2-one (CID 119801487) is 4-[2-(methylamino)acetyl]-3-thiophen-2-ylpiperazin-2-one.
What is the SMILES notation for 4-[2-(methylamino)acetyl]-3-thiophen-2-ylpiperazin-2-one?
The canonical SMILES for 4-[2-(methylamino)acetyl]-3-thiophen-2-ylpiperazin-2-one is CNCC(=O)N1CCNC(=O)C1c1cccs1.
What is the InChIKey of 4-[2-(methylamino)acetyl]-3-thiophen-2-ylpiperazin-2-one?
The InChIKey is KTFGATNVHPUQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-12-7-9(15)14-5-4-13-11(16)10(14)8-3-2-6-17-8/h2-3,6,10,12H,4-5,7H2,1H3,(H,13,16).
What are the key properties of 4-[2-(methylamino)acetyl]-3-thiophen-2-ylpiperazin-2-one?
4-[2-(methylamino)acetyl]-3-thiophen-2-ylpiperazin-2-one has a molecular weight of 253.33 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylamino)acetyl]-3-thiophen-2-ylpiperazin-2-one is sourced from PubChem (CID 119801487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).