1-(2-methoxyethyl)-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione

C16H22N2O3 — CID 64880418

IUPAC1-(2-methoxyethyl)-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione
SMILESCOCCN1C(=O)C(C)(c2ccccc2)NC(=O)C1(C)C
InChIInChI=1S/C16H22N2O3/c1-15(2)13(19)17-16(3,12-8-6-5-7-9-12)14(20)18(15)10-11-21-4/h5-9H,10-11H2,1-4H3,(H,17,19)
InChIKeyGXYXDJHHVFZWOB-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.29
Rot. Bonds4

About 1-(2-methoxyethyl)-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione

1-(2-methoxyethyl)-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione (PubChem CID 64880418) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione
PubChem CID64880418
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-(2-methoxyethyl)-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione
SMILESCOCCN1C(=O)C(C)(c2ccccc2)NC(=O)C1(C)C
InChIInChI=1S/C16H22N2O3/c1-15(2)13(19)17-16(3,12-8-6-5-7-9-12)14(20)18(15)10-11-21-4/h5-9H,10-11H2,1-4H3,(H,17,19)
InChIKeyGXYXDJHHVFZWOB-UHFFFAOYSA-N
XLogP1.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-methoxyethyl)-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione?
The IUPAC name of 1-(2-methoxyethyl)-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione (CID 64880418) is 1-(2-methoxyethyl)-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-methoxyethyl)-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-methoxyethyl)-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione is COCCN1C(=O)C(C)(c2ccccc2)NC(=O)C1(C)C.
What is the InChIKey of 1-(2-methoxyethyl)-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione?
The InChIKey is GXYXDJHHVFZWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-15(2)13(19)17-16(3,12-8-6-5-7-9-12)14(20)18(15)10-11-21-4/h5-9H,10-11H2,1-4H3,(H,17,19).
What are the key properties of 1-(2-methoxyethyl)-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione?
1-(2-methoxyethyl)-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione has a molecular weight of 290.36 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione is sourced from PubChem (CID 64880418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).