1-[4-(furan-2-yl)butan-2-yl]-3-methylpiperazine-2,5-dione

C13H18N2O3 — CID 64966669

IUPAC1-[4-(furan-2-yl)butan-2-yl]-3-methylpiperazine-2,5-dione
SMILESCC1NC(=O)CN(C(C)CCc2ccco2)C1=O
InChIInChI=1S/C13H18N2O3/c1-9(5-6-11-4-3-7-18-11)15-8-12(16)14-10(2)13(15)17/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,14,16)
InChIKeyDBOVGRSWCQEPDC-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.95
Rot. Bonds4

About 1-[4-(furan-2-yl)butan-2-yl]-3-methylpiperazine-2,5-dione

1-[4-(furan-2-yl)butan-2-yl]-3-methylpiperazine-2,5-dione (PubChem CID 64966669) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-[4-(furan-2-yl)butan-2-yl]-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[4-(furan-2-yl)butan-2-yl]-3-methylpiperazine-2,5-dione
PubChem CID64966669
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name1-[4-(furan-2-yl)butan-2-yl]-3-methylpiperazine-2,5-dione
SMILESCC1NC(=O)CN(C(C)CCc2ccco2)C1=O
InChIInChI=1S/C13H18N2O3/c1-9(5-6-11-4-3-7-18-11)15-8-12(16)14-10(2)13(15)17/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,14,16)
InChIKeyDBOVGRSWCQEPDC-UHFFFAOYSA-N
XLogP0.95
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(furan-2-yl)butan-2-yl]-3-propylpiperazine-2,5-dione
CID 64966621
1-[2-(furan-2-yl)ethyl]-3-methylpiperazine-2,5-dione
CID 64964752
1-[4-(furan-2-yl)butan-2-yl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 115947632
(3S)-3-methyl-1-propan-2-ylpiperazine-2,5-dione
CID 164760236
3-methyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine-2,5-dione
CID 64972578
3-tert-butyl-1-[2-(furan-2-yl)ethyl]piperazine-2,5-dione
CID 64964726
5-ethyl-1-[4-(furan-2-yl)butan-2-yl]-2-methylpiperazine
CID 64947660
3-cyclopropyl-1-[1-(furan-2-yl)propan-2-yl]-3,6-dimethylpiperazine-2,5-dione
CID 64964724
1-[2-(furan-2-yl)ethyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64964778
4-[1-(furan-2-yl)propan-2-yl]piperazine-2,6-dione
CID 63789266
N-[4-(furan-2-yl)butan-2-yl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 75414137
2-[4-(furan-2-yl)butan-2-yl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926095

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-yl)butan-2-yl]-3-methylpiperazine-2,5-dione?
The IUPAC name of 1-[4-(furan-2-yl)butan-2-yl]-3-methylpiperazine-2,5-dione (CID 64966669) is 1-[4-(furan-2-yl)butan-2-yl]-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[4-(furan-2-yl)butan-2-yl]-3-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[4-(furan-2-yl)butan-2-yl]-3-methylpiperazine-2,5-dione is CC1NC(=O)CN(C(C)CCc2ccco2)C1=O.
What is the InChIKey of 1-[4-(furan-2-yl)butan-2-yl]-3-methylpiperazine-2,5-dione?
The InChIKey is DBOVGRSWCQEPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9(5-6-11-4-3-7-18-11)15-8-12(16)14-10(2)13(15)17/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,14,16).
What are the key properties of 1-[4-(furan-2-yl)butan-2-yl]-3-methylpiperazine-2,5-dione?
1-[4-(furan-2-yl)butan-2-yl]-3-methylpiperazine-2,5-dione has a molecular weight of 250.30 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-yl)butan-2-yl]-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64966669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).