3-tert-butyl-1-(oxolan-3-yl)-6-propylpiperazine-2,5-dione

C15H26N2O3 — CID 64902463

IUPAC3-tert-butyl-1-(oxolan-3-yl)-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(C(C)(C)C)C(=O)N1C1CCOC1
InChIInChI=1S/C15H26N2O3/c1-5-6-11-13(18)16-12(15(2,3)4)14(19)17(11)10-7-8-20-9-10/h10-12H,5-9H2,1-4H3,(H,16,18)
InChIKeyHXQHTFVXOJIQSX-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.32
Rot. Bonds3

About 3-tert-butyl-1-(oxolan-3-yl)-6-propylpiperazine-2,5-dione

3-tert-butyl-1-(oxolan-3-yl)-6-propylpiperazine-2,5-dione (PubChem CID 64902463) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-tert-butyl-1-(oxolan-3-yl)-6-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-1-(oxolan-3-yl)-6-propylpiperazine-2,5-dione
PubChem CID64902463
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-tert-butyl-1-(oxolan-3-yl)-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(C(C)(C)C)C(=O)N1C1CCOC1
InChIInChI=1S/C15H26N2O3/c1-5-6-11-13(18)16-12(15(2,3)4)14(19)17(11)10-7-8-20-9-10/h10-12H,5-9H2,1-4H3,(H,16,18)
InChIKeyHXQHTFVXOJIQSX-UHFFFAOYSA-N
XLogP1.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butyl-6-methyl-1-(oxolan-3-yl)piperazine-2,5-dione
CID 64903031
3-tert-butyl-6-ethyl-1-(4-methylcyclohexyl)piperazine-2,5-dione
CID 64959537
3-butan-2-yl-6-ethyl-1-(oxolan-3-yl)piperazine-2,5-dione
CID 64902522
3-(oxolan-3-yl)-2,5-dipropylimidazolidin-4-one
CID 83271242
3-butan-2-yl-6-tert-butyl-1-(oxolan-3-yl)piperazine-2,5-dione
CID 64903462
3-tert-butyl-1-pentyl-6-propylpiperazine-2,5-dione
CID 64901503
3-tert-butyl-6,6-dimethyl-1-(oxolan-3-yl)piperazine-2,5-dione
CID 64901324
6-ethyl-1-(oxolan-3-yl)piperazine-2,5-dione
CID 64878893
1-cyclopentyl-3-ethyl-6-propylpiperazine-2,5-dione
CID 82937316
6-tert-butyl-3,3-dimethyl-1-(oxolan-3-yl)piperazine-2,5-dione
CID 64901984
3-tert-butyl-6-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazine-2,5-dione
CID 80725478
2-(2-fluorophenyl)-3-(oxolan-3-yl)-5-propylimidazolidin-4-one
CID 83267208

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(oxolan-3-yl)-6-propylpiperazine-2,5-dione?
The IUPAC name of 3-tert-butyl-1-(oxolan-3-yl)-6-propylpiperazine-2,5-dione (CID 64902463) is 3-tert-butyl-1-(oxolan-3-yl)-6-propylpiperazine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-1-(oxolan-3-yl)-6-propylpiperazine-2,5-dione?
The canonical SMILES for 3-tert-butyl-1-(oxolan-3-yl)-6-propylpiperazine-2,5-dione is CCCC1C(=O)NC(C(C)(C)C)C(=O)N1C1CCOC1.
What is the InChIKey of 3-tert-butyl-1-(oxolan-3-yl)-6-propylpiperazine-2,5-dione?
The InChIKey is HXQHTFVXOJIQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-5-6-11-13(18)16-12(15(2,3)4)14(19)17(11)10-7-8-20-9-10/h10-12H,5-9H2,1-4H3,(H,16,18).
What are the key properties of 3-tert-butyl-1-(oxolan-3-yl)-6-propylpiperazine-2,5-dione?
3-tert-butyl-1-(oxolan-3-yl)-6-propylpiperazine-2,5-dione has a molecular weight of 282.38 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(oxolan-3-yl)-6-propylpiperazine-2,5-dione is sourced from PubChem (CID 64902463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).