3-tert-butyl-6-ethyl-1-[1-(furan-2-yl)ethyl]piperazine-2,5-dione

C16H24N2O3 — CID 64960457

IUPAC3-tert-butyl-6-ethyl-1-[1-(furan-2-yl)ethyl]piperazine-2,5-dione
SMILESCCC1C(=O)NC(C(C)(C)C)C(=O)N1C(C)c1ccco1
InChIInChI=1S/C16H24N2O3/c1-6-11-14(19)17-13(16(3,4)5)15(20)18(11)10(2)12-8-7-9-21-12/h7-11,13H,6H2,1-5H3,(H,17,19)
InChIKeyCSGIINWJJGRISB-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.49
Rot. Bonds3

About 3-tert-butyl-6-ethyl-1-[1-(furan-2-yl)ethyl]piperazine-2,5-dione

3-tert-butyl-6-ethyl-1-[1-(furan-2-yl)ethyl]piperazine-2,5-dione (PubChem CID 64960457) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-tert-butyl-6-ethyl-1-[1-(furan-2-yl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-6-ethyl-1-[1-(furan-2-yl)ethyl]piperazine-2,5-dione
PubChem CID64960457
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-tert-butyl-6-ethyl-1-[1-(furan-2-yl)ethyl]piperazine-2,5-dione
SMILESCCC1C(=O)NC(C(C)(C)C)C(=O)N1C(C)c1ccco1
InChIInChI=1S/C16H24N2O3/c1-6-11-14(19)17-13(16(3,4)5)15(20)18(11)10(2)12-8-7-9-21-12/h7-11,13H,6H2,1-5H3,(H,17,19)
InChIKeyCSGIINWJJGRISB-UHFFFAOYSA-N
XLogP2.49
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(furan-2-yl)ethyl]-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 64960434
3-cyclopropyl-6-ethyl-1-[1-(5-methylfuran-2-yl)ethyl]piperazine-2,5-dione
CID 64965675
3-butan-2-yl-1-[1-(furan-2-yl)ethyl]piperazine-2,5-dione
CID 64961132
3-tert-butyl-1-(3-chlorophenyl)-6-ethylpiperazine-2,5-dione
CID 64961220
3-tert-butyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione
CID 64957247
3-tert-butyl-6-ethyl-1-(4-methylcyclohexyl)piperazine-2,5-dione
CID 64959537
3-tert-butyl-1-[2-(furan-2-yl)ethyl]piperazine-2,5-dione
CID 64964726
1-[1-(4-bromophenyl)ethyl]-3,6-diethylpiperazine-2,5-dione
CID 64965367
1-[1-(furan-2-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione
CID 64960446
3-tert-butyl-1-heptan-2-yl-6-methylpiperazine-2,5-dione
CID 64964224
3-tert-butyl-6-ethyl-1-(2-methoxyethyl)piperazine-2,5-dione
CID 64902074
1-[(4-bromothiophen-2-yl)methyl]-3-tert-butyl-6-ethylpiperazine-2,5-dione
CID 64903034

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-ethyl-1-[1-(furan-2-yl)ethyl]piperazine-2,5-dione?
The IUPAC name of 3-tert-butyl-6-ethyl-1-[1-(furan-2-yl)ethyl]piperazine-2,5-dione (CID 64960457) is 3-tert-butyl-6-ethyl-1-[1-(furan-2-yl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-6-ethyl-1-[1-(furan-2-yl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 3-tert-butyl-6-ethyl-1-[1-(furan-2-yl)ethyl]piperazine-2,5-dione is CCC1C(=O)NC(C(C)(C)C)C(=O)N1C(C)c1ccco1.
What is the InChIKey of 3-tert-butyl-6-ethyl-1-[1-(furan-2-yl)ethyl]piperazine-2,5-dione?
The InChIKey is CSGIINWJJGRISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-6-11-14(19)17-13(16(3,4)5)15(20)18(11)10(2)12-8-7-9-21-12/h7-11,13H,6H2,1-5H3,(H,17,19).
What are the key properties of 3-tert-butyl-6-ethyl-1-[1-(furan-2-yl)ethyl]piperazine-2,5-dione?
3-tert-butyl-6-ethyl-1-[1-(furan-2-yl)ethyl]piperazine-2,5-dione has a molecular weight of 292.38 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-ethyl-1-[1-(furan-2-yl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 64960457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).