3-cyclopropyl-6-ethyl-3-methyl-1-(oxan-4-yl)piperazine-2,5-dione

C15H24N2O3 — CID 64960889

IUPAC3-cyclopropyl-6-ethyl-3-methyl-1-(oxan-4-yl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C2CC2)C(=O)N1C1CCOCC1
InChIInChI=1S/C15H24N2O3/c1-3-12-13(18)16-15(2,10-4-5-10)14(19)17(12)11-6-8-20-9-7-11/h10-12H,3-9H2,1-2H3,(H,16,18)
InChIKeyNAHWZBIQZVXDRK-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.07
Rot. Bonds3

About 3-cyclopropyl-6-ethyl-3-methyl-1-(oxan-4-yl)piperazine-2,5-dione

3-cyclopropyl-6-ethyl-3-methyl-1-(oxan-4-yl)piperazine-2,5-dione (PubChem CID 64960889) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-cyclopropyl-6-ethyl-3-methyl-1-(oxan-4-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-6-ethyl-3-methyl-1-(oxan-4-yl)piperazine-2,5-dione
PubChem CID64960889
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-cyclopropyl-6-ethyl-3-methyl-1-(oxan-4-yl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C2CC2)C(=O)N1C1CCOCC1
InChIInChI=1S/C15H24N2O3/c1-3-12-13(18)16-15(2,10-4-5-10)14(19)17(12)11-6-8-20-9-7-11/h10-12H,3-9H2,1-2H3,(H,16,18)
InChIKeyNAHWZBIQZVXDRK-UHFFFAOYSA-N
XLogP1.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-cyclopropyl-6-ethyl-3-methyl-1-(oxan-4-yl)piperazine-2,5-dione with MolForge

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Related Compounds

1-cyclohexyl-3-cyclopropyl-3-methyl-6-propylpiperazine-2,5-dione
CID 82924808
1-cyclopentyl-3-cyclopropyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 82924810
3-cyclopropyl-6-ethyl-3-methyl-1-pentan-3-ylpiperazine-2,5-dione
CID 64958165
1-cyclohexyl-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64958809
3-cyclopropyl-6-ethyl-1-(2-ethylsulfonylethyl)-3-methylpiperazine-2,5-dione
CID 106733614
1-(cyclobutylmethyl)-3-cyclopropyl-6-ethyl-3-methylpiperazine-2,5-dione
CID 64960315
3-cyclopropyl-1-(1-cyclopropylethyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64960714
3-cyclopropyl-1-(2-ethoxyethyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64887283
3-cyclopropyl-6-ethyl-3-methyl-1-(2-methylbut-3-yn-2-yl)piperazine-2,5-dione
CID 64972432
3-cyclopropyl-6-ethyl-1-(4-fluorophenyl)-3-methylpiperazine-2,5-dione
CID 64957444
3-cyclopropyl-6-ethyl-1-(furan-2-ylmethyl)-3-methylpiperazine-2,5-dione
CID 64957705
3-cyclopropyl-6-ethyl-1-(3-methoxy-2-methylpropyl)-3-methylpiperazine-2,5-dione
CID 64968620

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-ethyl-3-methyl-1-(oxan-4-yl)piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-6-ethyl-3-methyl-1-(oxan-4-yl)piperazine-2,5-dione (CID 64960889) is 3-cyclopropyl-6-ethyl-3-methyl-1-(oxan-4-yl)piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-6-ethyl-3-methyl-1-(oxan-4-yl)piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-6-ethyl-3-methyl-1-(oxan-4-yl)piperazine-2,5-dione is CCC1C(=O)NC(C)(C2CC2)C(=O)N1C1CCOCC1.
What is the InChIKey of 3-cyclopropyl-6-ethyl-3-methyl-1-(oxan-4-yl)piperazine-2,5-dione?
The InChIKey is NAHWZBIQZVXDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-12-13(18)16-15(2,10-4-5-10)14(19)17(12)11-6-8-20-9-7-11/h10-12H,3-9H2,1-2H3,(H,16,18).
What are the key properties of 3-cyclopropyl-6-ethyl-3-methyl-1-(oxan-4-yl)piperazine-2,5-dione?
3-cyclopropyl-6-ethyl-3-methyl-1-(oxan-4-yl)piperazine-2,5-dione has a molecular weight of 280.37 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-ethyl-3-methyl-1-(oxan-4-yl)piperazine-2,5-dione is sourced from PubChem (CID 64960889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).