6,6-dimethyl-3-propyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione

C14H20N2O2S — CID 64872787

IUPAC6,6-dimethyl-3-propyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)(C)N(Cc2cccs2)C1=O
InChIInChI=1S/C14H20N2O2S/c1-4-6-11-12(17)16(9-10-7-5-8-19-10)14(2,3)13(18)15-11/h5,7-8,11H,4,6,9H2,1-3H3,(H,15,18)
InChIKeyJDNYDFIDHIDFAR-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.15
Rot. Bonds4

About 6,6-dimethyl-3-propyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione

6,6-dimethyl-3-propyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione (PubChem CID 64872787) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 6,6-dimethyl-3-propyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6,6-dimethyl-3-propyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
PubChem CID64872787
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name6,6-dimethyl-3-propyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)(C)N(Cc2cccs2)C1=O
InChIInChI=1S/C14H20N2O2S/c1-4-6-11-12(17)16(9-10-7-5-8-19-10)14(2,3)13(18)15-11/h5,7-8,11H,4,6,9H2,1-3H3,(H,15,18)
InChIKeyJDNYDFIDHIDFAR-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,6-dimethyl-3-propyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione
CID 64874564
6,6-dimethyl-1-pentyl-3-propylpiperazine-2,5-dione
CID 64873577
6-ethyl-6-methyl-3-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64874006
6,6-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-3-propylpiperazine-2,5-dione
CID 64873772
3-tert-butyl-6-ethyl-6-methyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64901898
6,6-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propylpiperazine-2,5-dione
CID 103016837
6,6-dimethyl-1-[(5-methyl-3-pyridinyl)methyl]-3-propylpiperazine-2,5-dione
CID 102879738
6,6-dimethyl-1-(oxolan-3-ylmethyl)-3-propylpiperazine-2,5-dione
CID 64874959
(5S)-3-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-5-propylimidazolidine-2,4-dione
CID 26217537
6,6-dimethyl-3-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
CID 116627631
6,6-dimethyl-1-(oxan-2-ylmethyl)-3-propylpiperazine-2,5-dione
CID 64872985
6-ethyl-3-propyl-1-(1-thiophen-2-ylpropan-2-yl)piperazine-2,5-dione
CID 64970920

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-propyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 6,6-dimethyl-3-propyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione (CID 64872787) is 6,6-dimethyl-3-propyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 6,6-dimethyl-3-propyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 6,6-dimethyl-3-propyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione is CCCC1NC(=O)C(C)(C)N(Cc2cccs2)C1=O.
What is the InChIKey of 6,6-dimethyl-3-propyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione?
The InChIKey is JDNYDFIDHIDFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-4-6-11-12(17)16(9-10-7-5-8-19-10)14(2,3)13(18)15-11/h5,7-8,11H,4,6,9H2,1-3H3,(H,15,18).
What are the key properties of 6,6-dimethyl-3-propyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione?
6,6-dimethyl-3-propyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione has a molecular weight of 280.39 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-propyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64872787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).