3-tert-butyl-1-[(4,5-dimethylthiophen-2-yl)methyl]piperazine-2,5-dione

C15H22N2O2S — CID 65244363

IUPAC3-tert-butyl-1-[(4,5-dimethylthiophen-2-yl)methyl]piperazine-2,5-dione
SMILESCc1cc(CN2CC(=O)NC(C(C)(C)C)C2=O)sc1C
InChIInChI=1S/C15H22N2O2S/c1-9-6-11(20-10(9)2)7-17-8-12(18)16-13(14(17)19)15(3,4)5/h6,13H,7-8H2,1-5H3,(H,16,18)
InChIKeyFKBICHFPNDSEOA-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.24
Rot. Bonds2

About 3-tert-butyl-1-[(4,5-dimethylthiophen-2-yl)methyl]piperazine-2,5-dione

3-tert-butyl-1-[(4,5-dimethylthiophen-2-yl)methyl]piperazine-2,5-dione (PubChem CID 65244363) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 3-tert-butyl-1-[(4,5-dimethylthiophen-2-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-1-[(4,5-dimethylthiophen-2-yl)methyl]piperazine-2,5-dione
PubChem CID65244363
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name3-tert-butyl-1-[(4,5-dimethylthiophen-2-yl)methyl]piperazine-2,5-dione
SMILESCc1cc(CN2CC(=O)NC(C(C)(C)C)C2=O)sc1C
InChIInChI=1S/C15H22N2O2S/c1-9-6-11(20-10(9)2)7-17-8-12(18)16-13(14(17)19)15(3,4)5/h6,13H,7-8H2,1-5H3,(H,16,18)
InChIKeyFKBICHFPNDSEOA-UHFFFAOYSA-N
XLogP2.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-[(4,5-dimethylthiophen-2-yl)methyl]piperazine-2,5-dione?
The IUPAC name of 3-tert-butyl-1-[(4,5-dimethylthiophen-2-yl)methyl]piperazine-2,5-dione (CID 65244363) is 3-tert-butyl-1-[(4,5-dimethylthiophen-2-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-1-[(4,5-dimethylthiophen-2-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3-tert-butyl-1-[(4,5-dimethylthiophen-2-yl)methyl]piperazine-2,5-dione is Cc1cc(CN2CC(=O)NC(C(C)(C)C)C2=O)sc1C.
What is the InChIKey of 3-tert-butyl-1-[(4,5-dimethylthiophen-2-yl)methyl]piperazine-2,5-dione?
The InChIKey is FKBICHFPNDSEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-9-6-11(20-10(9)2)7-17-8-12(18)16-13(14(17)19)15(3,4)5/h6,13H,7-8H2,1-5H3,(H,16,18).
What are the key properties of 3-tert-butyl-1-[(4,5-dimethylthiophen-2-yl)methyl]piperazine-2,5-dione?
3-tert-butyl-1-[(4,5-dimethylthiophen-2-yl)methyl]piperazine-2,5-dione has a molecular weight of 294.42 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-[(4,5-dimethylthiophen-2-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 65244363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).