3-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-2,6-dione

C17H23N3O2 — CID 170952357

IUPAC3-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-2,6-dione
SMILESCc1cc(C2CCC(=O)NC2=O)ccc1N1CCN(C)CC1
InChIInChI=1S/C17H23N3O2/c1-12-11-13(14-4-6-16(21)18-17(14)22)3-5-15(12)20-9-7-19(2)8-10-20/h3,5,11,14H,4,6-10H2,1-2H3,(H,18,21,22)
InChIKeyRCAYPPPGZBPJHE-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.27
Rot. Bonds2

About 3-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-2,6-dione

3-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-2,6-dione (PubChem CID 170952357) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-2,6-dione
PubChem CID170952357
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name3-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-2,6-dione
SMILESCc1cc(C2CCC(=O)NC2=O)ccc1N1CCN(C)CC1
InChIInChI=1S/C17H23N3O2/c1-12-11-13(14-4-6-16(21)18-17(14)22)3-5-15(12)20-9-7-19(2)8-10-20/h3,5,11,14H,4,6-10H2,1-2H3,(H,18,21,22)
InChIKeyRCAYPPPGZBPJHE-UHFFFAOYSA-N
XLogP1.27
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-(4-methylphenyl)piperidine-2,6-dione
CID 94766924
3-(4-fluoro-3-piperazin-1-ylphenyl)piperidine-2,6-dione
CID 177028079
2-[1-[2-chloro-4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]piperidin-4-yl]acetaldehyde
CID 170325245
3-[4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)phenyl]piperidine-2,6-dione
CID 170954104
3-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]piperidine-2,6-dione
CID 170953722
3-[4-[4-[(4-aminocyclohexyl)methyl]piperazin-1-yl]-3-fluorophenyl]piperidine-2,6-dione
CID 171598542
4-[4-[(3R)-2,6-dioxopiperidin-3-yl]-2-methylphenoxy]cyclohexane-1-carboxylic acid
CID 175902612
3-(4-aminophenyl)piperidine-2,6-dione;ethane
CID 177052461
ethane;3-methyl-4-(4-methylpiperazin-1-yl)aniline
CID 170593153
3-[4-[4-[(ethenylamino)methyl]piperidin-1-yl]-3-fluorophenyl]piperidine-2,6-dione
CID 178116403
3-[4-[4-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]piperazin-1-yl]-3-fluorophenyl]piperidine-2,6-dione
CID 167463482
3-[4-(4-butan-2-ylpiperazin-1-yl)phenyl]piperidine-2,6-dione
CID 178116151

Frequently Asked Questions

What is the IUPAC name of 3-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-2,6-dione (CID 170952357) is 3-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-2,6-dione is Cc1cc(C2CCC(=O)NC2=O)ccc1N1CCN(C)CC1.
What is the InChIKey of 3-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-2,6-dione?
The InChIKey is RCAYPPPGZBPJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12-11-13(14-4-6-16(21)18-17(14)22)3-5-15(12)20-9-7-19(2)8-10-20/h3,5,11,14H,4,6-10H2,1-2H3,(H,18,21,22).
What are the key properties of 3-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-2,6-dione?
3-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-2,6-dione has a molecular weight of 301.39 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-2,6-dione is sourced from PubChem (CID 170952357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).