6-ethyl-3-methyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione

C15H22N2O2S — CID 64966333

IUPAC6-ethyl-3-methyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione
SMILESCCCC(c1cccs1)N1C(=O)C(C)NC(=O)C1CC
InChIInChI=1S/C15H22N2O2S/c1-4-7-12(13-8-6-9-20-13)17-11(5-2)14(18)16-10(3)15(17)19/h6,8-12H,4-5,7H2,1-3H3,(H,16,18)
InChIKeyMZMFSIONNJULSN-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.71
Rot. Bonds5

About 6-ethyl-3-methyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione

6-ethyl-3-methyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione (PubChem CID 64966333) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 6-ethyl-3-methyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-3-methyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione
PubChem CID64966333
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name6-ethyl-3-methyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione
SMILESCCCC(c1cccs1)N1C(=O)C(C)NC(=O)C1CC
InChIInChI=1S/C15H22N2O2S/c1-4-7-12(13-8-6-9-20-13)17-11(5-2)14(18)16-10(3)15(17)19/h6,8-12H,4-5,7H2,1-3H3,(H,16,18)
InChIKeyMZMFSIONNJULSN-UHFFFAOYSA-N
XLogP2.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione?
The IUPAC name of 6-ethyl-3-methyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione (CID 64966333) is 6-ethyl-3-methyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-3-methyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione?
The canonical SMILES for 6-ethyl-3-methyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione is CCCC(c1cccs1)N1C(=O)C(C)NC(=O)C1CC.
What is the InChIKey of 6-ethyl-3-methyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione?
The InChIKey is MZMFSIONNJULSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-4-7-12(13-8-6-9-20-13)17-11(5-2)14(18)16-10(3)15(17)19/h6,8-12H,4-5,7H2,1-3H3,(H,16,18).
What are the key properties of 6-ethyl-3-methyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione?
6-ethyl-3-methyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione has a molecular weight of 294.42 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione is sourced from PubChem (CID 64966333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).