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

C15H24N2O4 — CID 104766542

IUPAC3-cyclopropyl-6-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperazine-2,5-dione
SMILESCCC1C(=O)NC(C2CC2)C(=O)N1CC1(OC)CCOC1
InChIInChI=1S/C15H24N2O4/c1-3-11-13(18)16-12(10-4-5-10)14(19)17(11)8-15(20-2)6-7-21-9-15/h10-12H,3-9H2,1-2H3,(H,16,18)
InChIKeyFQXZBTIIQYWNEJ-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.31
Rot. Bonds5

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

3-cyclopropyl-6-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperazine-2,5-dione (PubChem CID 104766542) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-cyclopropyl-6-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-6-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperazine-2,5-dione
PubChem CID104766542
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name3-cyclopropyl-6-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperazine-2,5-dione
SMILESCCC1C(=O)NC(C2CC2)C(=O)N1CC1(OC)CCOC1
InChIInChI=1S/C15H24N2O4/c1-3-11-13(18)16-12(10-4-5-10)14(19)17(11)8-15(20-2)6-7-21-9-15/h10-12H,3-9H2,1-2H3,(H,16,18)
InChIKeyFQXZBTIIQYWNEJ-UHFFFAOYSA-N
XLogP0.31
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-3-[(3-methoxyoxolan-3-yl)methyl]-5-methylimidazolidin-4-one
CID 113451101
3,3-diethyl-1-[(3-methoxyoxolan-3-yl)methyl]-6-methylpiperazine-2,5-dione
CID 104766524
3-amino-1-[(3-methoxyoxolan-3-yl)methyl]piperidin-2-one
CID 104766156
5-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]-1,4-diazepane
CID 113450811
3-[(3-methoxyoxolan-3-yl)methyl]-5-propan-2-yl-2-propylimidazolidin-4-one
CID 104767861
3-[(3-methoxyoxolan-3-yl)methyl]-2-methyl-5-(2-methylpropyl)imidazolidin-4-one
CID 104767875
1-[(3-methoxyoxolan-3-yl)methyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione
CID 104766533
5-butyl-3-[(3-methoxyoxolan-3-yl)methyl]-2-propan-2-ylimidazolidin-4-one
CID 104767865
3-cyclopropyl-6-ethyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione
CID 64885044
3-[(3-methoxyoxolan-3-yl)methyl]-5-(2-methylpropyl)-2-propan-2-ylimidazolidin-4-one
CID 104767840
3-[(3-methoxyoxolan-3-yl)methyl]-2-(2-methylpropyl)-5-propan-2-ylimidazolidin-4-one
CID 104767838
1-but-3-ynyl-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 64972450

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-6-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperazine-2,5-dione (CID 104766542) is 3-cyclopropyl-6-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-6-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-6-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperazine-2,5-dione is CCC1C(=O)NC(C2CC2)C(=O)N1CC1(OC)CCOC1.
What is the InChIKey of 3-cyclopropyl-6-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperazine-2,5-dione?
The InChIKey is FQXZBTIIQYWNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-3-11-13(18)16-12(10-4-5-10)14(19)17(11)8-15(20-2)6-7-21-9-15/h10-12H,3-9H2,1-2H3,(H,16,18).
What are the key properties of 3-cyclopropyl-6-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperazine-2,5-dione?
3-cyclopropyl-6-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperazine-2,5-dione has a molecular weight of 296.37 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 104766542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).