3-methyl-1-(oxan-4-yl)-6-phenylpiperazine-2,5-dione

C16H20N2O3 — CID 64960844

IUPAC3-methyl-1-(oxan-4-yl)-6-phenylpiperazine-2,5-dione
SMILESCC1NC(=O)C(c2ccccc2)N(C2CCOCC2)C1=O
InChIInChI=1S/C16H20N2O3/c1-11-16(20)18(13-7-9-21-10-8-13)14(15(19)17-11)12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3,(H,17,19)
InChIKeyOAHROVGOOGSEQY-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.25
Rot. Bonds2

About 3-methyl-1-(oxan-4-yl)-6-phenylpiperazine-2,5-dione

3-methyl-1-(oxan-4-yl)-6-phenylpiperazine-2,5-dione (PubChem CID 64960844) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-methyl-1-(oxan-4-yl)-6-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(oxan-4-yl)-6-phenylpiperazine-2,5-dione
PubChem CID64960844
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-methyl-1-(oxan-4-yl)-6-phenylpiperazine-2,5-dione
SMILESCC1NC(=O)C(c2ccccc2)N(C2CCOCC2)C1=O
InChIInChI=1S/C16H20N2O3/c1-11-16(20)18(13-7-9-21-10-8-13)14(15(19)17-11)12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3,(H,17,19)
InChIKeyOAHROVGOOGSEQY-UHFFFAOYSA-N
XLogP1.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1-(oxan-4-yl)-6-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 3-methyl-1-(oxan-4-yl)-6-phenylpiperazine-2,5-dione?
The IUPAC name of 3-methyl-1-(oxan-4-yl)-6-phenylpiperazine-2,5-dione (CID 64960844) is 3-methyl-1-(oxan-4-yl)-6-phenylpiperazine-2,5-dione.
What is the SMILES notation for 3-methyl-1-(oxan-4-yl)-6-phenylpiperazine-2,5-dione?
The canonical SMILES for 3-methyl-1-(oxan-4-yl)-6-phenylpiperazine-2,5-dione is CC1NC(=O)C(c2ccccc2)N(C2CCOCC2)C1=O.
What is the InChIKey of 3-methyl-1-(oxan-4-yl)-6-phenylpiperazine-2,5-dione?
The InChIKey is OAHROVGOOGSEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11-16(20)18(13-7-9-21-10-8-13)14(15(19)17-11)12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3,(H,17,19).
What are the key properties of 3-methyl-1-(oxan-4-yl)-6-phenylpiperazine-2,5-dione?
3-methyl-1-(oxan-4-yl)-6-phenylpiperazine-2,5-dione has a molecular weight of 288.35 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(oxan-4-yl)-6-phenylpiperazine-2,5-dione is sourced from PubChem (CID 64960844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).