3-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-3,6-dimethylpiperazine-2,5-dione

C14H26N2O3 — CID 65053725

IUPAC3-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-3,6-dimethylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)N(C(COC)C(C)C)C1=O
InChIInChI=1S/C14H26N2O3/c1-7-14(5)13(18)16(10(4)12(17)15-14)11(8-19-6)9(2)3/h9-11H,7-8H2,1-6H3,(H,15,17)
InChIKeyABGNHYLRQOLTEZ-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.17
Rot. Bonds5

About 3-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-3,6-dimethylpiperazine-2,5-dione

3-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-3,6-dimethylpiperazine-2,5-dione (PubChem CID 65053725) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-3,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-3,6-dimethylpiperazine-2,5-dione
PubChem CID65053725
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-3,6-dimethylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)N(C(COC)C(C)C)C1=O
InChIInChI=1S/C14H26N2O3/c1-7-14(5)13(18)16(10(4)12(17)15-14)11(8-19-6)9(2)3/h9-11H,7-8H2,1-6H3,(H,15,17)
InChIKeyABGNHYLRQOLTEZ-UHFFFAOYSA-N
XLogP1.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-3,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 3-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-3,6-dimethylpiperazine-2,5-dione (CID 65053725) is 3-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-3,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-3,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 3-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-3,6-dimethylpiperazine-2,5-dione is CCC1(C)NC(=O)C(C)N(C(COC)C(C)C)C1=O.
What is the InChIKey of 3-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-3,6-dimethylpiperazine-2,5-dione?
The InChIKey is ABGNHYLRQOLTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-7-14(5)13(18)16(10(4)12(17)15-14)11(8-19-6)9(2)3/h9-11H,7-8H2,1-6H3,(H,15,17).
What are the key properties of 3-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-3,6-dimethylpiperazine-2,5-dione?
3-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-3,6-dimethylpiperazine-2,5-dione has a molecular weight of 270.37 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-3,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 65053725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).