6-tert-butyl-3-methyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione

C14H20N2O2S — CID 64873934

IUPAC6-tert-butyl-3-methyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione
SMILESCC1NC(=O)C(C(C)(C)C)N(Cc2ccsc2)C1=O
InChIInChI=1S/C14H20N2O2S/c1-9-13(18)16(7-10-5-6-19-8-10)11(12(17)15-9)14(2,3)4/h5-6,8-9,11H,7H2,1-4H3,(H,15,17)
InChIKeyMFVQRRAFXZAHTK-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.01
Rot. Bonds2

About 6-tert-butyl-3-methyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione

6-tert-butyl-3-methyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione (PubChem CID 64873934) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 6-tert-butyl-3-methyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-tert-butyl-3-methyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione
PubChem CID64873934
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name6-tert-butyl-3-methyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione
SMILESCC1NC(=O)C(C(C)(C)C)N(Cc2ccsc2)C1=O
InChIInChI=1S/C14H20N2O2S/c1-9-13(18)16(7-10-5-6-19-8-10)11(12(17)15-9)14(2,3)4/h5-6,8-9,11H,7H2,1-4H3,(H,15,17)
InChIKeyMFVQRRAFXZAHTK-UHFFFAOYSA-N
XLogP2.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-methyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 6-tert-butyl-3-methyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione (CID 64873934) is 6-tert-butyl-3-methyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 6-tert-butyl-3-methyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 6-tert-butyl-3-methyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione is CC1NC(=O)C(C(C)(C)C)N(Cc2ccsc2)C1=O.
What is the InChIKey of 6-tert-butyl-3-methyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione?
The InChIKey is MFVQRRAFXZAHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-9-13(18)16(7-10-5-6-19-8-10)11(12(17)15-9)14(2,3)4/h5-6,8-9,11H,7H2,1-4H3,(H,15,17).
What are the key properties of 6-tert-butyl-3-methyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione?
6-tert-butyl-3-methyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione has a molecular weight of 280.39 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-methyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64873934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).