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

C14H20N2O2S — CID 64873555

IUPAC6-ethyl-3-propyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione
SMILESCCCC1NC(=O)C(CC)N(Cc2ccsc2)C1=O
InChIInChI=1S/C14H20N2O2S/c1-3-5-11-14(18)16(8-10-6-7-19-9-10)12(4-2)13(17)15-11/h6-7,9,11-12H,3-5,8H2,1-2H3,(H,15,17)
InChIKeyDAPFANHCOAGNCH-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.15
Rot. Bonds5

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

6-ethyl-3-propyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione (PubChem CID 64873555) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 6-ethyl-3-propyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-3-propyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione
PubChem CID64873555
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name6-ethyl-3-propyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione
SMILESCCCC1NC(=O)C(CC)N(Cc2ccsc2)C1=O
InChIInChI=1S/C14H20N2O2S/c1-3-5-11-14(18)16(8-10-6-7-19-9-10)12(4-2)13(17)15-11/h6-7,9,11-12H,3-5,8H2,1-2H3,(H,15,17)
InChIKeyDAPFANHCOAGNCH-UHFFFAOYSA-N
XLogP2.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-ethyl-3-propyl-1-(1-thiophen-3-ylpropan-2-yl)piperazine-2,5-dione
CID 64965037
6-propan-2-yl-3-propyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64873759
3-ethyl-6-(2-methylpropyl)-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64903189
6-ethyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpiperazine-2,5-dione
CID 64970882
(5S)-5-propyl-3-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 30956220
6-ethyl-1-(2-methylsulfanylethyl)-3-propylpiperazine-2,5-dione
CID 64971608
6-ethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-propylpiperazine-2,5-dione
CID 64970533
6-ethyl-3-propyl-1-(5,5,5-trifluoropentyl)piperazine-2,5-dione
CID 115522571
6-ethyl-1-hex-5-ynyl-3-propylpiperazine-2,5-dione
CID 106210830
6-ethyl-3-propyl-1-(2-prop-2-ynylsulfanylethyl)piperazine-2,5-dione
CID 106432992
1-(cyclohex-3-en-1-ylmethyl)-6-ethyl-3-propylpiperazine-2,5-dione
CID 64968016
6-ethyl-3-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine-2,5-dione
CID 64902486

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-propyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 6-ethyl-3-propyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione (CID 64873555) is 6-ethyl-3-propyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-3-propyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 6-ethyl-3-propyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione is CCCC1NC(=O)C(CC)N(Cc2ccsc2)C1=O.
What is the InChIKey of 6-ethyl-3-propyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione?
The InChIKey is DAPFANHCOAGNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-3-5-11-14(18)16(8-10-6-7-19-9-10)12(4-2)13(17)15-11/h6-7,9,11-12H,3-5,8H2,1-2H3,(H,15,17).
What are the key properties of 6-ethyl-3-propyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione?
6-ethyl-3-propyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione has a molecular weight of 280.39 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-propyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64873555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).