3,3,6,6-tetramethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione

C14H24N2O3 — CID 103141794

IUPAC3,3,6,6-tetramethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione
SMILESCC1CCC(CN2C(=O)C(C)(C)NC(=O)C2(C)C)O1
InChIInChI=1S/C14H24N2O3/c1-9-6-7-10(19-9)8-16-12(18)13(2,3)15-11(17)14(16,4)5/h9-10H,6-8H2,1-5H3,(H,15,17)
InChIKeyCQMLGWDULAIRQF-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.07
Rot. Bonds2

About 3,3,6,6-tetramethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione

3,3,6,6-tetramethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione (PubChem CID 103141794) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3,3,6,6-tetramethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3,3,6,6-tetramethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione
PubChem CID103141794
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name3,3,6,6-tetramethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione
SMILESCC1CCC(CN2C(=O)C(C)(C)NC(=O)C2(C)C)O1
InChIInChI=1S/C14H24N2O3/c1-9-6-7-10(19-9)8-16-12(18)13(2,3)15-11(17)14(16,4)5/h9-10H,6-8H2,1-5H3,(H,15,17)
InChIKeyCQMLGWDULAIRQF-UHFFFAOYSA-N
XLogP1.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,6,6-tetramethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione?
The IUPAC name of 3,3,6,6-tetramethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione (CID 103141794) is 3,3,6,6-tetramethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3,3,6,6-tetramethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3,3,6,6-tetramethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione is CC1CCC(CN2C(=O)C(C)(C)NC(=O)C2(C)C)O1.
What is the InChIKey of 3,3,6,6-tetramethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione?
The InChIKey is CQMLGWDULAIRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-9-6-7-10(19-9)8-16-12(18)13(2,3)15-11(17)14(16,4)5/h9-10H,6-8H2,1-5H3,(H,15,17).
What are the key properties of 3,3,6,6-tetramethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione?
3,3,6,6-tetramethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione has a molecular weight of 268.36 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6,6-tetramethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 103141794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).