3-methyl-6-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione

C14H20N2O2S — CID 64874284

IUPAC3-methyl-6-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
SMILESCC1NC(=O)C(C(C)C)N(CCc2ccsc2)C1=O
InChIInChI=1S/C14H20N2O2S/c1-9(2)12-13(17)15-10(3)14(18)16(12)6-4-11-5-7-19-8-11/h5,7-10,12H,4,6H2,1-3H3,(H,15,17)
InChIKeyORUDBMWHVKFTAW-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.66
Rot. Bonds4

About 3-methyl-6-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione

3-methyl-6-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione (PubChem CID 64874284) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-methyl-6-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-methyl-6-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
PubChem CID64874284
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name3-methyl-6-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
SMILESCC1NC(=O)C(C(C)C)N(CCc2ccsc2)C1=O
InChIInChI=1S/C14H20N2O2S/c1-9(2)12-13(17)15-10(3)14(18)16(12)6-4-11-5-7-19-8-11/h5,7-10,12H,4,6H2,1-3H3,(H,15,17)
InChIKeyORUDBMWHVKFTAW-UHFFFAOYSA-N
XLogP1.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione?
The IUPAC name of 3-methyl-6-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione (CID 64874284) is 3-methyl-6-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-methyl-6-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione?
The canonical SMILES for 3-methyl-6-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione is CC1NC(=O)C(C(C)C)N(CCc2ccsc2)C1=O.
What is the InChIKey of 3-methyl-6-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione?
The InChIKey is ORUDBMWHVKFTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-9(2)12-13(17)15-10(3)14(18)16(12)6-4-11-5-7-19-8-11/h5,7-10,12H,4,6H2,1-3H3,(H,15,17).
What are the key properties of 3-methyl-6-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione?
3-methyl-6-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione has a molecular weight of 280.39 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione is sourced from PubChem (CID 64874284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).