3,3,5-trimethylpiperazine-2,6-dione

C7H12N2O2 — CID 130597100

IUPAC3,3,5-trimethylpiperazine-2,6-dione
SMILESCC1NC(C)(C)C(=O)NC1=O
InChIInChI=1S/C7H12N2O2/c1-4-5(10)8-6(11)7(2,3)9-4/h4,9H,1-3H3,(H,8,10,11)
InChIKeyZQHGLUGIYHCMGE-UHFFFAOYSA-N
MW156.18 g/mol
LogP-0.60
Rot. Bonds

About 3,3,5-trimethylpiperazine-2,6-dione

3,3,5-trimethylpiperazine-2,6-dione (PubChem CID 130597100) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 3,3,5-trimethylpiperazine-2,6-dione.

Molecular Properties

Compound Name3,3,5-trimethylpiperazine-2,6-dione
PubChem CID130597100
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name3,3,5-trimethylpiperazine-2,6-dione
SMILESCC1NC(C)(C)C(=O)NC1=O
InChIInChI=1S/C7H12N2O2/c1-4-5(10)8-6(11)7(2,3)9-4/h4,9H,1-3H3,(H,8,10,11)
InChIKeyZQHGLUGIYHCMGE-UHFFFAOYSA-N
XLogP-0.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,3,5-trimethylpiperazine-2,6-dione with MolForge

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

Launch Full Analysis

Related Compounds

(5S)-2,2,5-trimethylimidazolidin-4-one
CID 13443913
(6S,12S,18S,24S)-3,3,6,9,9,12,15,15,18,21,21,24-dodecamethyl-1,4,7,10,13,16,19,22-octazacyclotetracosane-2,5,8,11,14,17,20,23-octone
CID 177434045
(4aR,7aR)-3,3-dimethyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[b]pyrazin-2-one
CID 118258290
2-cyclopropyl-2,5-dimethylimidazolidin-4-one
CID 130684670
3,4-dimethylpyrrolidine-2,5-dione
CID 3550866
(3S,6S,9R,12S,15S)-3,6,9,12,15-pentamethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 102149559
3-methyl-6-methylidenepiperazine-2,5-dione
CID 45117239
ethane;5-methyl-2-sulfanylideneimidazolidin-4-one
CID 142805949
6-cyclopropyl-3,3-dimethylpiperazine-2,5-dione
CID 64883661
tert-butyl 2-methyl-3,5-dioxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate
CID 130597122
3,3,5-trimethylpyrrolidine-2,4-dione
CID 55299893
(4R)-3,3,4-trimethylazetidin-2-one
CID 59064361

Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethylpiperazine-2,6-dione?
The IUPAC name of 3,3,5-trimethylpiperazine-2,6-dione (CID 130597100) is 3,3,5-trimethylpiperazine-2,6-dione.
What is the SMILES notation for 3,3,5-trimethylpiperazine-2,6-dione?
The canonical SMILES for 3,3,5-trimethylpiperazine-2,6-dione is CC1NC(C)(C)C(=O)NC1=O.
What is the InChIKey of 3,3,5-trimethylpiperazine-2,6-dione?
The InChIKey is ZQHGLUGIYHCMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-4-5(10)8-6(11)7(2,3)9-4/h4,9H,1-3H3,(H,8,10,11).
What are the key properties of 3,3,5-trimethylpiperazine-2,6-dione?
3,3,5-trimethylpiperazine-2,6-dione has a molecular weight of 156.18 g/mol, XLogP of -0.60, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethylpiperazine-2,6-dione is sourced from PubChem (CID 130597100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).