3-ethyl-3-[4-(2,4,6-trimethylpyridin-1-ium-1-yl)phenyl]piperidine-2,6-dione

C21H25N2O2+ — CID 4073534

IUPAC3-ethyl-3-[4-(2,4,6-trimethylpyridin-1-ium-1-yl)phenyl]piperidine-2,6-dione
SMILESCCC1(c2ccc(-[n+]3c(C)cc(C)cc3C)cc2)CCC(=O)NC1=O
InChIInChI=1S/C21H24N2O2/c1-5-21(11-10-19(24)22-20(21)25)17-6-8-18(9-7-17)23-15(3)12-14(2)13-16(23)4/h6-9,12-13H,5,10-11H2,1-4H3/p+1
InChIKeyGQUDCTVSRRIFII-UHFFFAOYSA-O
MW337.44 g/mol
LogP2.97
Rot. Bonds3

About 3-ethyl-3-[4-(2,4,6-trimethylpyridin-1-ium-1-yl)phenyl]piperidine-2,6-dione

3-ethyl-3-[4-(2,4,6-trimethylpyridin-1-ium-1-yl)phenyl]piperidine-2,6-dione (PubChem CID 4073534) has the molecular formula C21H25N2O2+ and a molecular weight of 337.44 g/mol. Its IUPAC name is 3-ethyl-3-[4-(2,4,6-trimethylpyridin-1-ium-1-yl)phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-ethyl-3-[4-(2,4,6-trimethylpyridin-1-ium-1-yl)phenyl]piperidine-2,6-dione
PubChem CID4073534
Molecular FormulaC21H25N2O2+
Molecular Weight337.44 g/mol
Exact Mass337.19
IUPAC Name3-ethyl-3-[4-(2,4,6-trimethylpyridin-1-ium-1-yl)phenyl]piperidine-2,6-dione
SMILESCCC1(c2ccc(-[n+]3c(C)cc(C)cc3C)cc2)CCC(=O)NC1=O
InChIInChI=1S/C21H24N2O2/c1-5-21(11-10-19(24)22-20(21)25)17-6-8-18(9-7-17)23-15(3)12-14(2)13-16(23)4/h6-9,12-13H,5,10-11H2,1-4H3/p+1
InChIKeyGQUDCTVSRRIFII-UHFFFAOYSA-O
XLogP2.97
TPSA50.05 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 3-ethyl-3-[4-(2,4,6-trimethylpyridin-1-ium-1-yl)phenyl]piperidine-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-ethyl-3-(1-oxidopyridin-1-ium-4-yl)piperidine-2,6-dione
CID 15688005
N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-3,4-dimethylbenzamide
CID 94533339
N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-4-methylbenzenesulfonamide
CID 40517909
(3R)-3-ethyl-3-(3-nitrophenyl)piperidine-2,6-dione
CID 129396617
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 60570520
4-chloro-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]benzamide
CID 41025293
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]bicyclo[1.1.0]butane-1-carboxamide
CID 167747058
3-(2,4-dimethylphenyl)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]propanamide
CID 60570734
1-(3,4-dichlorophenyl)-3-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]urea
CID 4049256
iodomethyl N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]carbamate
CID 146489185
3-[2-(diethylamino)ethyl]-3-phenylpiperidine-2,6-dione;hydron;chloride
CID 67108178
dimethyl (E)-2-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)anilino]but-2-enedioate
CID 168566996

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[4-(2,4,6-trimethylpyridin-1-ium-1-yl)phenyl]piperidine-2,6-dione?
The IUPAC name of 3-ethyl-3-[4-(2,4,6-trimethylpyridin-1-ium-1-yl)phenyl]piperidine-2,6-dione (CID 4073534) is 3-ethyl-3-[4-(2,4,6-trimethylpyridin-1-ium-1-yl)phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-ethyl-3-[4-(2,4,6-trimethylpyridin-1-ium-1-yl)phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-ethyl-3-[4-(2,4,6-trimethylpyridin-1-ium-1-yl)phenyl]piperidine-2,6-dione is CCC1(c2ccc(-[n+]3c(C)cc(C)cc3C)cc2)CCC(=O)NC1=O.
What is the InChIKey of 3-ethyl-3-[4-(2,4,6-trimethylpyridin-1-ium-1-yl)phenyl]piperidine-2,6-dione?
The InChIKey is GQUDCTVSRRIFII-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H24N2O2/c1-5-21(11-10-19(24)22-20(21)25)17-6-8-18(9-7-17)23-15(3)12-14(2)13-16(23)4/h6-9,12-13H,5,10-11H2,1-4H3/p+1.
What are the key properties of 3-ethyl-3-[4-(2,4,6-trimethylpyridin-1-ium-1-yl)phenyl]piperidine-2,6-dione?
3-ethyl-3-[4-(2,4,6-trimethylpyridin-1-ium-1-yl)phenyl]piperidine-2,6-dione has a molecular weight of 337.44 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[4-(2,4,6-trimethylpyridin-1-ium-1-yl)phenyl]piperidine-2,6-dione is sourced from PubChem (CID 4073534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).