3,6-diethyl-1-[(5-methylfuran-2-yl)methyl]piperazine-2,5-dione

C14H20N2O3 — CID 64969292

IUPAC3,6-diethyl-1-[(5-methylfuran-2-yl)methyl]piperazine-2,5-dione
SMILESCCC1NC(=O)C(CC)N(Cc2ccc(C)o2)C1=O
InChIInChI=1S/C14H20N2O3/c1-4-11-14(18)16(12(5-2)13(17)15-11)8-10-7-6-9(3)19-10/h6-7,11-12H,4-5,8H2,1-3H3,(H,15,17)
InChIKeyYRFXJSOJLXAAHZ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.60
Rot. Bonds4

About 3,6-diethyl-1-[(5-methylfuran-2-yl)methyl]piperazine-2,5-dione

3,6-diethyl-1-[(5-methylfuran-2-yl)methyl]piperazine-2,5-dione (PubChem CID 64969292) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3,6-diethyl-1-[(5-methylfuran-2-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3,6-diethyl-1-[(5-methylfuran-2-yl)methyl]piperazine-2,5-dione
PubChem CID64969292
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3,6-diethyl-1-[(5-methylfuran-2-yl)methyl]piperazine-2,5-dione
SMILESCCC1NC(=O)C(CC)N(Cc2ccc(C)o2)C1=O
InChIInChI=1S/C14H20N2O3/c1-4-11-14(18)16(12(5-2)13(17)15-11)8-10-7-6-9(3)19-10/h6-7,11-12H,4-5,8H2,1-3H3,(H,15,17)
InChIKeyYRFXJSOJLXAAHZ-UHFFFAOYSA-N
XLogP1.60
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-diethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione
CID 106409193
3,6-diethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-2,5-dione
CID 64966389
1-(3,3-dimethylbutyl)-3,6-diethylpiperazine-2,5-dione
CID 64901256
3,6-diethyl-1-[(4-ethylcyclohexyl)methyl]piperazine-2,5-dione
CID 64968208
1-(cyclopentylmethyl)-3,6-diethylpiperazine-2,5-dione
CID 64902210
1-but-3-ynyl-3,6-diethylpiperazine-2,5-dione
CID 64972522
3-methyl-1-[(5-methylfuran-2-yl)methyl]piperazine-2,5-dione
CID 64969258
1-[(1,4-dimethylpiperidin-4-yl)methyl]-3,6-diethylpiperazine-2,5-dione
CID 107165375
3,6-diethyl-1-[(4-methylcyclohexyl)methyl]piperazine-2,5-dione
CID 64970352
6-ethyl-3-(2-methylpropyl)-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione
CID 82872513
6-ethyl-3-propyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione
CID 64873555
3,6-diethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione
CID 106409492

Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-1-[(5-methylfuran-2-yl)methyl]piperazine-2,5-dione?
The IUPAC name of 3,6-diethyl-1-[(5-methylfuran-2-yl)methyl]piperazine-2,5-dione (CID 64969292) is 3,6-diethyl-1-[(5-methylfuran-2-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3,6-diethyl-1-[(5-methylfuran-2-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3,6-diethyl-1-[(5-methylfuran-2-yl)methyl]piperazine-2,5-dione is CCC1NC(=O)C(CC)N(Cc2ccc(C)o2)C1=O.
What is the InChIKey of 3,6-diethyl-1-[(5-methylfuran-2-yl)methyl]piperazine-2,5-dione?
The InChIKey is YRFXJSOJLXAAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-11-14(18)16(12(5-2)13(17)15-11)8-10-7-6-9(3)19-10/h6-7,11-12H,4-5,8H2,1-3H3,(H,15,17).
What are the key properties of 3,6-diethyl-1-[(5-methylfuran-2-yl)methyl]piperazine-2,5-dione?
3,6-diethyl-1-[(5-methylfuran-2-yl)methyl]piperazine-2,5-dione has a molecular weight of 264.32 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-1-[(5-methylfuran-2-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 64969292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).