6-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione

C12H16N2O2S — CID 64880056

IUPAC6-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
SMILESCC(C)C1C(=O)NCC(=O)N1Cc1cccs1
InChIInChI=1S/C12H16N2O2S/c1-8(2)11-12(16)13-6-10(15)14(11)7-9-4-3-5-17-9/h3-5,8,11H,6-7H2,1-2H3,(H,13,16)
InChIKeyZOOOEHGTKFBKAK-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.23
Rot. Bonds3

About 6-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione

6-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione (PubChem CID 64880056) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 6-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
PubChem CID64880056
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name6-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
SMILESCC(C)C1C(=O)NCC(=O)N1Cc1cccs1
InChIInChI=1S/C12H16N2O2S/c1-8(2)11-12(16)13-6-10(15)14(11)7-9-4-3-5-17-9/h3-5,8,11H,6-7H2,1-2H3,(H,13,16)
InChIKeyZOOOEHGTKFBKAK-UHFFFAOYSA-N
XLogP1.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 6-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione (CID 64880056) is 6-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 6-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 6-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione is CC(C)C1C(=O)NCC(=O)N1Cc1cccs1.
What is the InChIKey of 6-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione?
The InChIKey is ZOOOEHGTKFBKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-8(2)11-12(16)13-6-10(15)14(11)7-9-4-3-5-17-9/h3-5,8,11H,6-7H2,1-2H3,(H,13,16).
What are the key properties of 6-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione?
6-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione has a molecular weight of 252.34 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64880056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).