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

C16H24N2O3 — CID 64960434

IUPAC1-[1-(furan-2-yl)ethyl]-3,6-di(propan-2-yl)piperazine-2,5-dione
SMILESCC(C)C1NC(=O)C(C(C)C)N(C(C)c2ccco2)C1=O
InChIInChI=1S/C16H24N2O3/c1-9(2)13-16(20)18(11(5)12-7-6-8-21-12)14(10(3)4)15(19)17-13/h6-11,13-14H,1-5H3,(H,17,19)
InChIKeyZMKLEHGTMFAGOS-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.35
Rot. Bonds4

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

1-[1-(furan-2-yl)ethyl]-3,6-di(propan-2-yl)piperazine-2,5-dione (PubChem CID 64960434) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[1-(furan-2-yl)ethyl]-3,6-di(propan-2-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-[1-(furan-2-yl)ethyl]-3,6-di(propan-2-yl)piperazine-2,5-dione
PubChem CID64960434
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-[1-(furan-2-yl)ethyl]-3,6-di(propan-2-yl)piperazine-2,5-dione
SMILESCC(C)C1NC(=O)C(C(C)C)N(C(C)c2ccco2)C1=O
InChIInChI=1S/C16H24N2O3/c1-9(2)13-16(20)18(11(5)12-7-6-8-21-12)14(10(3)4)15(19)17-13/h6-11,13-14H,1-5H3,(H,17,19)
InChIKeyZMKLEHGTMFAGOS-UHFFFAOYSA-N
XLogP2.35
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(furan-2-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione
CID 64960446
3-tert-butyl-6-ethyl-1-[1-(furan-2-yl)ethyl]piperazine-2,5-dione
CID 64960457
3-methyl-1-[1-(5-methylfuran-2-yl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64965003
3-butan-2-yl-1-[1-(furan-2-yl)ethyl]piperazine-2,5-dione
CID 64961132
1-[4-(dimethylamino)butan-2-yl]-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 64966679
1-(1-methoxybutan-2-yl)-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 64972901
1-but-3-yn-2-yl-6-phenyl-3-propan-2-ylpiperazine-2,5-dione
CID 114420572
1-(2-methylbutan-2-yl)-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 64958231
6-propan-2-yl-3-propyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione
CID 64963106
1-[(5-methylthiophen-2-yl)methyl]-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 64968489
6-methyl-3-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione
CID 64963209
1-[1-(3-fluorophenyl)ethyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64965949

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-yl)ethyl]-3,6-di(propan-2-yl)piperazine-2,5-dione?
The IUPAC name of 1-[1-(furan-2-yl)ethyl]-3,6-di(propan-2-yl)piperazine-2,5-dione (CID 64960434) is 1-[1-(furan-2-yl)ethyl]-3,6-di(propan-2-yl)piperazine-2,5-dione.
What is the SMILES notation for 1-[1-(furan-2-yl)ethyl]-3,6-di(propan-2-yl)piperazine-2,5-dione?
The canonical SMILES for 1-[1-(furan-2-yl)ethyl]-3,6-di(propan-2-yl)piperazine-2,5-dione is CC(C)C1NC(=O)C(C(C)C)N(C(C)c2ccco2)C1=O.
What is the InChIKey of 1-[1-(furan-2-yl)ethyl]-3,6-di(propan-2-yl)piperazine-2,5-dione?
The InChIKey is ZMKLEHGTMFAGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-9(2)13-16(20)18(11(5)12-7-6-8-21-12)14(10(3)4)15(19)17-13/h6-11,13-14H,1-5H3,(H,17,19).
What are the key properties of 1-[1-(furan-2-yl)ethyl]-3,6-di(propan-2-yl)piperazine-2,5-dione?
1-[1-(furan-2-yl)ethyl]-3,6-di(propan-2-yl)piperazine-2,5-dione has a molecular weight of 292.38 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-yl)ethyl]-3,6-di(propan-2-yl)piperazine-2,5-dione is sourced from PubChem (CID 64960434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).