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

C14H20N2O3 — CID 64961132

IUPAC3-butan-2-yl-1-[1-(furan-2-yl)ethyl]piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)CN(C(C)c2ccco2)C1=O
InChIInChI=1S/C14H20N2O3/c1-4-9(2)13-14(18)16(8-12(17)15-13)10(3)11-6-5-7-19-11/h5-7,9-10,13H,4,8H2,1-3H3,(H,15,17)
InChIKeyRMEJZAJQKZZMDO-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.71
Rot. Bonds4

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

3-butan-2-yl-1-[1-(furan-2-yl)ethyl]piperazine-2,5-dione (PubChem CID 64961132) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-butan-2-yl-1-[1-(furan-2-yl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-1-[1-(furan-2-yl)ethyl]piperazine-2,5-dione
PubChem CID64961132
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-butan-2-yl-1-[1-(furan-2-yl)ethyl]piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)CN(C(C)c2ccco2)C1=O
InChIInChI=1S/C14H20N2O3/c1-4-9(2)13-14(18)16(8-12(17)15-13)10(3)11-6-5-7-19-11/h5-7,9-10,13H,4,8H2,1-3H3,(H,15,17)
InChIKeyRMEJZAJQKZZMDO-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-[1-(furan-2-yl)ethyl]piperazine-2,5-dione?
The IUPAC name of 3-butan-2-yl-1-[1-(furan-2-yl)ethyl]piperazine-2,5-dione (CID 64961132) is 3-butan-2-yl-1-[1-(furan-2-yl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-1-[1-(furan-2-yl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-1-[1-(furan-2-yl)ethyl]piperazine-2,5-dione is CCC(C)C1NC(=O)CN(C(C)c2ccco2)C1=O.
What is the InChIKey of 3-butan-2-yl-1-[1-(furan-2-yl)ethyl]piperazine-2,5-dione?
The InChIKey is RMEJZAJQKZZMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-9(2)13-14(18)16(8-12(17)15-13)10(3)11-6-5-7-19-11/h5-7,9-10,13H,4,8H2,1-3H3,(H,15,17).
What are the key properties of 3-butan-2-yl-1-[1-(furan-2-yl)ethyl]piperazine-2,5-dione?
3-butan-2-yl-1-[1-(furan-2-yl)ethyl]piperazine-2,5-dione has a molecular weight of 264.32 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-[1-(furan-2-yl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 64961132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).