3-cyclopropyl-3-methyl-1-[(5-methylfuran-2-yl)methyl]piperazine-2,5-dione

C14H18N2O3 — CID 64969163

IUPAC3-cyclopropyl-3-methyl-1-[(5-methylfuran-2-yl)methyl]piperazine-2,5-dione
SMILESCc1ccc(CN2CC(=O)NC(C)(C3CC3)C2=O)o1
InChIInChI=1S/C14H18N2O3/c1-9-3-6-11(19-9)7-16-8-12(17)15-14(2,13(16)18)10-4-5-10/h3,6,10H,4-5,7-8H2,1-2H3,(H,15,17)
InChIKeyMUIFYBOTFUOAGH-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.22
Rot. Bonds3

About 3-cyclopropyl-3-methyl-1-[(5-methylfuran-2-yl)methyl]piperazine-2,5-dione

3-cyclopropyl-3-methyl-1-[(5-methylfuran-2-yl)methyl]piperazine-2,5-dione (PubChem CID 64969163) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-cyclopropyl-3-methyl-1-[(5-methylfuran-2-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-3-methyl-1-[(5-methylfuran-2-yl)methyl]piperazine-2,5-dione
PubChem CID64969163
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-cyclopropyl-3-methyl-1-[(5-methylfuran-2-yl)methyl]piperazine-2,5-dione
SMILESCc1ccc(CN2CC(=O)NC(C)(C3CC3)C2=O)o1
InChIInChI=1S/C14H18N2O3/c1-9-3-6-11(19-9)7-16-8-12(17)15-14(2,13(16)18)10-4-5-10/h3,6,10H,4-5,7-8H2,1-2H3,(H,15,17)
InChIKeyMUIFYBOTFUOAGH-UHFFFAOYSA-N
XLogP1.22
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[(5-methylfuran-2-yl)methyl]piperazine-2,5-dione
CID 64969258
3-cyclopropyl-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione
CID 64965764
3-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione
CID 64880374
3-cyclopropyl-3-methyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione
CID 64964160
3-cyclopropyl-3-methyl-1-(2-methylsulfinylethyl)piperazine-2,5-dione
CID 113480612
3-cyclopropyl-1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione
CID 64880578
5-methyl-1-[(5-methylfuran-2-yl)methyl]-1,3-diazinane-2,4-dione
CID 77073100
3-cyclopropyl-3-methyl-1-(2-propoxyethyl)piperazine-2,5-dione
CID 106459136
3-cyclopropyl-3-methyl-1-(thiolan-3-ylmethyl)piperazine-2,5-dione
CID 107298540
3-cyclopropyl-3-methyl-1-(pyrimidin-2-ylmethyl)-1,4-diazepane-2,5-dione
CID 64883027
1-[(5-bromothiophen-2-yl)methyl]-3-cyclopropyl-3-methyl-1,4-diazepane-2,5-dione
CID 64883611
3-cyclopropyl-1-(3,5-dimethylphenyl)-3-methylpiperazine-2,5-dione
CID 64958945

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-methyl-1-[(5-methylfuran-2-yl)methyl]piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-3-methyl-1-[(5-methylfuran-2-yl)methyl]piperazine-2,5-dione (CID 64969163) is 3-cyclopropyl-3-methyl-1-[(5-methylfuran-2-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-3-methyl-1-[(5-methylfuran-2-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-3-methyl-1-[(5-methylfuran-2-yl)methyl]piperazine-2,5-dione is Cc1ccc(CN2CC(=O)NC(C)(C3CC3)C2=O)o1.
What is the InChIKey of 3-cyclopropyl-3-methyl-1-[(5-methylfuran-2-yl)methyl]piperazine-2,5-dione?
The InChIKey is MUIFYBOTFUOAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9-3-6-11(19-9)7-16-8-12(17)15-14(2,13(16)18)10-4-5-10/h3,6,10H,4-5,7-8H2,1-2H3,(H,15,17).
What are the key properties of 3-cyclopropyl-3-methyl-1-[(5-methylfuran-2-yl)methyl]piperazine-2,5-dione?
3-cyclopropyl-3-methyl-1-[(5-methylfuran-2-yl)methyl]piperazine-2,5-dione has a molecular weight of 262.31 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-methyl-1-[(5-methylfuran-2-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 64969163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).