1-(3-ethoxyphenyl)-3,3,6-trimethylpiperazine-2,5-dione

C15H20N2O3 — CID 64966676

IUPAC1-(3-ethoxyphenyl)-3,3,6-trimethylpiperazine-2,5-dione
SMILESCCOc1cccc(N2C(=O)C(C)(C)NC(=O)C2C)c1
InChIInChI=1S/C15H20N2O3/c1-5-20-12-8-6-7-11(9-12)17-10(2)13(18)16-15(3,4)14(17)19/h6-10H,5H2,1-4H3,(H,16,18)
InChIKeyPERCBAHHEAZEET-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.72
Rot. Bonds3

About 1-(3-ethoxyphenyl)-3,3,6-trimethylpiperazine-2,5-dione

1-(3-ethoxyphenyl)-3,3,6-trimethylpiperazine-2,5-dione (PubChem CID 64966676) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-3,3,6-trimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-3,3,6-trimethylpiperazine-2,5-dione
PubChem CID64966676
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-(3-ethoxyphenyl)-3,3,6-trimethylpiperazine-2,5-dione
SMILESCCOc1cccc(N2C(=O)C(C)(C)NC(=O)C2C)c1
InChIInChI=1S/C15H20N2O3/c1-5-20-12-8-6-7-11(9-12)17-10(2)13(18)16-15(3,4)14(17)19/h6-10H,5H2,1-4H3,(H,16,18)
InChIKeyPERCBAHHEAZEET-UHFFFAOYSA-N
XLogP1.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-3,3,6-trimethylpiperazine-2,5-dione?
The IUPAC name of 1-(3-ethoxyphenyl)-3,3,6-trimethylpiperazine-2,5-dione (CID 64966676) is 1-(3-ethoxyphenyl)-3,3,6-trimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3-ethoxyphenyl)-3,3,6-trimethylpiperazine-2,5-dione?
The canonical SMILES for 1-(3-ethoxyphenyl)-3,3,6-trimethylpiperazine-2,5-dione is CCOc1cccc(N2C(=O)C(C)(C)NC(=O)C2C)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-3,3,6-trimethylpiperazine-2,5-dione?
The InChIKey is PERCBAHHEAZEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-5-20-12-8-6-7-11(9-12)17-10(2)13(18)16-15(3,4)14(17)19/h6-10H,5H2,1-4H3,(H,16,18).
What are the key properties of 1-(3-ethoxyphenyl)-3,3,6-trimethylpiperazine-2,5-dione?
1-(3-ethoxyphenyl)-3,3,6-trimethylpiperazine-2,5-dione has a molecular weight of 276.34 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-3,3,6-trimethylpiperazine-2,5-dione is sourced from PubChem (CID 64966676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).