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

C13H22N2O3 — CID 64903031

IUPAC3-tert-butyl-6-methyl-1-(oxolan-3-yl)piperazine-2,5-dione
SMILESCC1C(=O)NC(C(C)(C)C)C(=O)N1C1CCOC1
InChIInChI=1S/C13H22N2O3/c1-8-11(16)14-10(13(2,3)4)12(17)15(8)9-5-6-18-7-9/h8-10H,5-7H2,1-4H3,(H,14,16)
InChIKeyUGSYOSRPCPQECV-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.54
Rot. Bonds1

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

3-tert-butyl-6-methyl-1-(oxolan-3-yl)piperazine-2,5-dione (PubChem CID 64903031) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-tert-butyl-6-methyl-1-(oxolan-3-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-6-methyl-1-(oxolan-3-yl)piperazine-2,5-dione
PubChem CID64903031
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name3-tert-butyl-6-methyl-1-(oxolan-3-yl)piperazine-2,5-dione
SMILESCC1C(=O)NC(C(C)(C)C)C(=O)N1C1CCOC1
InChIInChI=1S/C13H22N2O3/c1-8-11(16)14-10(13(2,3)4)12(17)15(8)9-5-6-18-7-9/h8-10H,5-7H2,1-4H3,(H,14,16)
InChIKeyUGSYOSRPCPQECV-UHFFFAOYSA-N
XLogP0.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-methyl-1-(oxolan-3-yl)piperazine-2,5-dione?
The IUPAC name of 3-tert-butyl-6-methyl-1-(oxolan-3-yl)piperazine-2,5-dione (CID 64903031) is 3-tert-butyl-6-methyl-1-(oxolan-3-yl)piperazine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-6-methyl-1-(oxolan-3-yl)piperazine-2,5-dione?
The canonical SMILES for 3-tert-butyl-6-methyl-1-(oxolan-3-yl)piperazine-2,5-dione is CC1C(=O)NC(C(C)(C)C)C(=O)N1C1CCOC1.
What is the InChIKey of 3-tert-butyl-6-methyl-1-(oxolan-3-yl)piperazine-2,5-dione?
The InChIKey is UGSYOSRPCPQECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-8-11(16)14-10(13(2,3)4)12(17)15(8)9-5-6-18-7-9/h8-10H,5-7H2,1-4H3,(H,14,16).
What are the key properties of 3-tert-butyl-6-methyl-1-(oxolan-3-yl)piperazine-2,5-dione?
3-tert-butyl-6-methyl-1-(oxolan-3-yl)piperazine-2,5-dione has a molecular weight of 254.33 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-methyl-1-(oxolan-3-yl)piperazine-2,5-dione is sourced from PubChem (CID 64903031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).