6-benzyl-1,4-dimethylpiperazine-2,3,5-trione

C13H14N2O3 — CID 13416223

IUPAC6-benzyl-1,4-dimethylpiperazine-2,3,5-trione
SMILESCN1C(=O)C(=O)N(C)C(Cc2ccccc2)C1=O
InChIInChI=1S/C13H14N2O3/c1-14-10(8-9-6-4-3-5-7-9)11(16)15(2)13(18)12(14)17/h3-7,10H,8H2,1-2H3
InChIKeyCMFOEVIFFKZPBI-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.05
Rot. Bonds2

About 6-benzyl-1,4-dimethylpiperazine-2,3,5-trione

6-benzyl-1,4-dimethylpiperazine-2,3,5-trione (PubChem CID 13416223) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 6-benzyl-1,4-dimethylpiperazine-2,3,5-trione.

Molecular Properties

Compound Name6-benzyl-1,4-dimethylpiperazine-2,3,5-trione
PubChem CID13416223
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name6-benzyl-1,4-dimethylpiperazine-2,3,5-trione
SMILESCN1C(=O)C(=O)N(C)C(Cc2ccccc2)C1=O
InChIInChI=1S/C13H14N2O3/c1-14-10(8-9-6-4-3-5-7-9)11(16)15(2)13(18)12(14)17/h3-7,10H,8H2,1-2H3
InChIKeyCMFOEVIFFKZPBI-UHFFFAOYSA-N
XLogP0.05
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

5-benzyl-1-methyl-3-phenylimidazolidine-2,4-dione
CID 12790757
(5S)-5-benzyl-1,4-dimethylpiperazine-2,3-dione
CID 139093059
(6E)-3-benzyl-6-[(5-bromo-2H-triazol-4-yl)methylidene]-1,4-dimethylpiperazine-2,5-dione
CID 68518845
(6Z)-3-benzyl-1,4-dimethyl-6-[(2-nitrophenyl)methylidene]piperazine-2,5-dione
CID 68519887
3-benzyl-6-[(5-bromo-2H-triazol-4-yl)methylidene]-1,4-dimethylpiperazine-2,5-dione
CID 68518847
(5S)-5-benzyl-1-methylimidazolidine-2,4-dione
CID 165148051
(3S,8aS)-3-benzyl-2-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 3082463
3-benzyl-1-methyl-3H-indol-2-one
CID 11207126
(3S,9aS)-3-benzyl-2-methyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 102263386
(3S,6S,9R,12S,15S,18R)-3,6,9,12,15,18-hexabenzyl-1,10-dimethyl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
CID 10855003
(4R)-4-benzyl-3-methyl-2-methylidene-1,3-oxazolidin-5-one
CID 158048514
(3Z,6S)-6-benzyl-3-benzylidene-1-methylpiperazine-2,5-dione
CID 102507009

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-1,4-dimethylpiperazine-2,3,5-trione?
The IUPAC name of 6-benzyl-1,4-dimethylpiperazine-2,3,5-trione (CID 13416223) is 6-benzyl-1,4-dimethylpiperazine-2,3,5-trione.
What is the SMILES notation for 6-benzyl-1,4-dimethylpiperazine-2,3,5-trione?
The canonical SMILES for 6-benzyl-1,4-dimethylpiperazine-2,3,5-trione is CN1C(=O)C(=O)N(C)C(Cc2ccccc2)C1=O.
What is the InChIKey of 6-benzyl-1,4-dimethylpiperazine-2,3,5-trione?
The InChIKey is CMFOEVIFFKZPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-14-10(8-9-6-4-3-5-7-9)11(16)15(2)13(18)12(14)17/h3-7,10H,8H2,1-2H3.
What are the key properties of 6-benzyl-1,4-dimethylpiperazine-2,3,5-trione?
6-benzyl-1,4-dimethylpiperazine-2,3,5-trione has a molecular weight of 246.27 g/mol, XLogP of 0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-1,4-dimethylpiperazine-2,3,5-trione is sourced from PubChem (CID 13416223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).