3-tert-butyl-1-[2-(furan-2-yl)ethyl]piperazine-2,5-dione

C14H20N2O3 — CID 64964726

IUPAC3-tert-butyl-1-[2-(furan-2-yl)ethyl]piperazine-2,5-dione
SMILESCC(C)(C)C1NC(=O)CN(CCc2ccco2)C1=O
InChIInChI=1S/C14H20N2O3/c1-14(2,3)12-13(18)16(9-11(17)15-12)7-6-10-5-4-8-19-10/h4-5,8,12H,6-7,9H2,1-3H3,(H,15,17)
InChIKeyXDMOJZIGBBZOGG-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.20
Rot. Bonds3

About 3-tert-butyl-1-[2-(furan-2-yl)ethyl]piperazine-2,5-dione

3-tert-butyl-1-[2-(furan-2-yl)ethyl]piperazine-2,5-dione (PubChem CID 64964726) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-tert-butyl-1-[2-(furan-2-yl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-1-[2-(furan-2-yl)ethyl]piperazine-2,5-dione
PubChem CID64964726
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-tert-butyl-1-[2-(furan-2-yl)ethyl]piperazine-2,5-dione
SMILESCC(C)(C)C1NC(=O)CN(CCc2ccco2)C1=O
InChIInChI=1S/C14H20N2O3/c1-14(2,3)12-13(18)16(9-11(17)15-12)7-6-10-5-4-8-19-10/h4-5,8,12H,6-7,9H2,1-3H3,(H,15,17)
InChIKeyXDMOJZIGBBZOGG-UHFFFAOYSA-N
XLogP1.20
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(furan-2-yl)ethyl]-3-methylpiperazine-2,5-dione
CID 64964752
3-tert-butyl-1-[(4-chlorophenyl)methyl]piperazine-2,5-dione
CID 64880952
1-[(2-bromophenyl)methyl]-3-tert-butylpiperazine-2,5-dione
CID 64880775
3-tert-butyl-1-[(2-fluorophenyl)methyl]piperazine-2,5-dione
CID 64880585
3-tert-butyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
CID 106045774
3-tert-butyl-1-nonylpiperazine-2,5-dione
CID 64880756
3-tert-butyl-1-but-3-ynylpiperazine-2,5-dione
CID 64972437
3-tert-butyl-1-[(3-methylphenyl)methyl]piperazine-2,5-dione
CID 64880959
2-[2-(furan-2-yl)ethyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79929494
3-tert-butyl-1-[(3-fluorophenyl)methyl]piperazine-2,5-dione
CID 64880761
3-tert-butyl-1-(pyridazin-3-ylmethyl)piperazine-2,5-dione
CID 106897997
3-tert-butyl-1-[(3,5-dimethylphenyl)methyl]piperazine-2,5-dione
CID 64878866

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-[2-(furan-2-yl)ethyl]piperazine-2,5-dione?
The IUPAC name of 3-tert-butyl-1-[2-(furan-2-yl)ethyl]piperazine-2,5-dione (CID 64964726) is 3-tert-butyl-1-[2-(furan-2-yl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-1-[2-(furan-2-yl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 3-tert-butyl-1-[2-(furan-2-yl)ethyl]piperazine-2,5-dione is CC(C)(C)C1NC(=O)CN(CCc2ccco2)C1=O.
What is the InChIKey of 3-tert-butyl-1-[2-(furan-2-yl)ethyl]piperazine-2,5-dione?
The InChIKey is XDMOJZIGBBZOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2,3)12-13(18)16(9-11(17)15-12)7-6-10-5-4-8-19-10/h4-5,8,12H,6-7,9H2,1-3H3,(H,15,17).
What are the key properties of 3-tert-butyl-1-[2-(furan-2-yl)ethyl]piperazine-2,5-dione?
3-tert-butyl-1-[2-(furan-2-yl)ethyl]piperazine-2,5-dione has a molecular weight of 264.32 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-[2-(furan-2-yl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 64964726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).