3,3-dimethyl-1-(pyridin-3-ylmethyl)piperazine-2,6-dione

C12H15N3O2 — CID 66069619

IUPAC3,3-dimethyl-1-(pyridin-3-ylmethyl)piperazine-2,6-dione
SMILESCC1(C)NCC(=O)N(Cc2cccnc2)C1=O
InChIInChI=1S/C12H15N3O2/c1-12(2)11(17)15(10(16)7-14-12)8-9-4-3-5-13-6-9/h3-6,14H,7-8H2,1-2H3
InChIKeyMHIPZURKOAIMGE-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.32
Rot. Bonds2

About 3,3-dimethyl-1-(pyridin-3-ylmethyl)piperazine-2,6-dione

3,3-dimethyl-1-(pyridin-3-ylmethyl)piperazine-2,6-dione (PubChem CID 66069619) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3,3-dimethyl-1-(pyridin-3-ylmethyl)piperazine-2,6-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-(pyridin-3-ylmethyl)piperazine-2,6-dione
PubChem CID66069619
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3,3-dimethyl-1-(pyridin-3-ylmethyl)piperazine-2,6-dione
SMILESCC1(C)NCC(=O)N(Cc2cccnc2)C1=O
InChIInChI=1S/C12H15N3O2/c1-12(2)11(17)15(10(16)7-14-12)8-9-4-3-5-13-6-9/h3-6,14H,7-8H2,1-2H3
InChIKeyMHIPZURKOAIMGE-UHFFFAOYSA-N
XLogP0.32
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,3-dimethyl-1-(pyridin-3-ylmethyl)piperazine-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

3-[(3,3-dimethyl-2,6-dioxopiperazin-1-yl)methyl]benzonitrile
CID 66067693
3,3-dimethyl-1-(thiophen-3-ylmethyl)piperazine-2,6-dione
CID 66068464
1-(pyridin-3-ylmethyl)-3,4-dihydroquinoxalin-2-one
CID 62876131
5,5-diethyl-1-(pyridin-3-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 115946533
1-[(2,3-difluorophenyl)methyl]-3,3-dimethylpiperazine-2,6-dione
CID 66068262
3,3,6,6-tetramethyl-4-(pyridin-3-ylmethyl)piperazin-2-one
CID 117023878
1-ethyl-3,3-dimethylpiperazine-2,6-dione
CID 66067687
6-ethyl-3,3,6-trimethyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione
CID 64900851
5,5-dimethyl-3-[2-oxo-2-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]ethyl]imidazolidine-2,4-dione
CID 70760964
(5R)-5-(2-phenylethyl)-5-piperidin-4-yl-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione
CID 95221358
8,8-dimethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64877587
1-methyl-3-(2-phenylethyl)-8-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26147707

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(pyridin-3-ylmethyl)piperazine-2,6-dione?
The IUPAC name of 3,3-dimethyl-1-(pyridin-3-ylmethyl)piperazine-2,6-dione (CID 66069619) is 3,3-dimethyl-1-(pyridin-3-ylmethyl)piperazine-2,6-dione.
What is the SMILES notation for 3,3-dimethyl-1-(pyridin-3-ylmethyl)piperazine-2,6-dione?
The canonical SMILES for 3,3-dimethyl-1-(pyridin-3-ylmethyl)piperazine-2,6-dione is CC1(C)NCC(=O)N(Cc2cccnc2)C1=O.
What is the InChIKey of 3,3-dimethyl-1-(pyridin-3-ylmethyl)piperazine-2,6-dione?
The InChIKey is MHIPZURKOAIMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-12(2)11(17)15(10(16)7-14-12)8-9-4-3-5-13-6-9/h3-6,14H,7-8H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-(pyridin-3-ylmethyl)piperazine-2,6-dione?
3,3-dimethyl-1-(pyridin-3-ylmethyl)piperazine-2,6-dione has a molecular weight of 233.27 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(pyridin-3-ylmethyl)piperazine-2,6-dione is sourced from PubChem (CID 66069619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).