3-methyl-1-(4-propoxyphenyl)piperazine-2,5-dione

C14H18N2O3 — CID 64968773

IUPAC3-methyl-1-(4-propoxyphenyl)piperazine-2,5-dione
SMILESCCCOc1ccc(N2CC(=O)NC(C)C2=O)cc1
InChIInChI=1S/C14H18N2O3/c1-3-8-19-12-6-4-11(5-7-12)16-9-13(17)15-10(2)14(16)18/h4-7,10H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyFSASGOSWWBYRRS-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.33
Rot. Bonds4

About 3-methyl-1-(4-propoxyphenyl)piperazine-2,5-dione

3-methyl-1-(4-propoxyphenyl)piperazine-2,5-dione (PubChem CID 64968773) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-methyl-1-(4-propoxyphenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(4-propoxyphenyl)piperazine-2,5-dione
PubChem CID64968773
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-methyl-1-(4-propoxyphenyl)piperazine-2,5-dione
SMILESCCCOc1ccc(N2CC(=O)NC(C)C2=O)cc1
InChIInChI=1S/C14H18N2O3/c1-3-8-19-12-6-4-11(5-7-12)16-9-13(17)15-10(2)14(16)18/h4-7,10H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyFSASGOSWWBYRRS-UHFFFAOYSA-N
XLogP1.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1-(4-propoxyphenyl)piperazine-2,5-dione
CID 64968760
1-[2-(4-bromophenoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 64878616
3-methyl-1-(4-morpholin-4-ylphenyl)piperazine-2,5-dione
CID 64970576
2-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxylic acid
CID 62328696
1-(4-propoxyphenyl)-4-sulfanylpyrrolidin-2-one
CID 168708183
1-(4-ethoxyphenyl)imidazolidine-2,4-dione
CID 2848649
(3R)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 99969292
methyl 5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxylate
CID 10446211
(1R,2R,6S,7S,8R,10R)-4-(4-propoxyphenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 50904316
1-[2-(4-bromophenoxy)ethyl]-3-propylpiperazine-2,5-dione
CID 64879037
5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-sulfonyl chloride
CID 168711179
(3aS,4R,7R,7aS)-4,7-dimethyl-2-(4-propoxyphenyl)-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione
CID 99721659

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-propoxyphenyl)piperazine-2,5-dione?
The IUPAC name of 3-methyl-1-(4-propoxyphenyl)piperazine-2,5-dione (CID 64968773) is 3-methyl-1-(4-propoxyphenyl)piperazine-2,5-dione.
What is the SMILES notation for 3-methyl-1-(4-propoxyphenyl)piperazine-2,5-dione?
The canonical SMILES for 3-methyl-1-(4-propoxyphenyl)piperazine-2,5-dione is CCCOc1ccc(N2CC(=O)NC(C)C2=O)cc1.
What is the InChIKey of 3-methyl-1-(4-propoxyphenyl)piperazine-2,5-dione?
The InChIKey is FSASGOSWWBYRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-8-19-12-6-4-11(5-7-12)16-9-13(17)15-10(2)14(16)18/h4-7,10H,3,8-9H2,1-2H3,(H,15,17).
What are the key properties of 3-methyl-1-(4-propoxyphenyl)piperazine-2,5-dione?
3-methyl-1-(4-propoxyphenyl)piperazine-2,5-dione has a molecular weight of 262.31 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-propoxyphenyl)piperazine-2,5-dione is sourced from PubChem (CID 64968773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).