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

C15H22N2O3 — CID 64964778

IUPAC1-[2-(furan-2-yl)ethyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)C(C)N(CCc2ccco2)C1=O
InChIInChI=1S/C15H22N2O3/c1-10(2)9-13-15(19)17(11(3)14(18)16-13)7-6-12-5-4-8-20-12/h4-5,8,10-11,13H,6-7,9H2,1-3H3,(H,16,18)
InChIKeyLQEBLYQTHBXXNN-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.58
Rot. Bonds5

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

1-[2-(furan-2-yl)ethyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 64964778) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-(furan-2-yl)ethyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
PubChem CID64964778
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[2-(furan-2-yl)ethyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)C(C)N(CCc2ccco2)C1=O
InChIInChI=1S/C15H22N2O3/c1-10(2)9-13-15(19)17(11(3)14(18)16-13)7-6-12-5-4-8-20-12/h4-5,8,10-11,13H,6-7,9H2,1-3H3,(H,16,18)
InChIKeyLQEBLYQTHBXXNN-UHFFFAOYSA-N
XLogP1.58
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-chlorothiophen-2-yl)ethyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 106045989
6-methyl-3-(2-methylpropyl)-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione
CID 64962323
6-methyl-1,3-bis(2-methylpropyl)piperazine-2,5-dione
CID 64900761
1-[(5-chlorothiophen-2-yl)methyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64902675
6-methyl-3-(2-methylpropyl)-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione
CID 64968810
1-(3-ethoxypropyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64959221
1-[1-(furan-2-yl)propan-2-yl]-6-methyl-3-propylpiperazine-2,5-dione
CID 64964702
1-[(4-bromothiophen-2-yl)methyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64901145
1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 106376914
6-methyl-3-(2-methylpropyl)-1-(2,3,3-trimethylbutyl)piperazine-2,5-dione
CID 83146598
1-(cyclobutylmethyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64960282
6-methyl-3-(2-methylpropyl)-1-[(3-methyl-4-pyridinyl)methyl]piperazine-2,5-dione
CID 114702109

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)ethyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 1-[2-(furan-2-yl)ethyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione (CID 64964778) is 1-[2-(furan-2-yl)ethyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 1-[2-(furan-2-yl)ethyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 1-[2-(furan-2-yl)ethyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione is CC(C)CC1NC(=O)C(C)N(CCc2ccco2)C1=O.
What is the InChIKey of 1-[2-(furan-2-yl)ethyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is LQEBLYQTHBXXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(2)9-13-15(19)17(11(3)14(18)16-13)7-6-12-5-4-8-20-12/h4-5,8,10-11,13H,6-7,9H2,1-3H3,(H,16,18).
What are the key properties of 1-[2-(furan-2-yl)ethyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione?
1-[2-(furan-2-yl)ethyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 278.35 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)ethyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 64964778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).