4,7-dimethyl-2-(4-methylpiperidin-4-yl)isoindole-1,3-dione

C16H20N2O2 — CID 103430987

IUPAC4,7-dimethyl-2-(4-methylpiperidin-4-yl)isoindole-1,3-dione
SMILESCc1ccc(C)c2c1C(=O)N(C1(C)CCNCC1)C2=O
InChIInChI=1S/C16H20N2O2/c1-10-4-5-11(2)13-12(10)14(19)18(15(13)20)16(3)6-8-17-9-7-16/h4-5,17H,6-9H2,1-3H3
InChIKeyWCFMETFEIDWRAI-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.04
Rot. Bonds1

About 4,7-dimethyl-2-(4-methylpiperidin-4-yl)isoindole-1,3-dione

4,7-dimethyl-2-(4-methylpiperidin-4-yl)isoindole-1,3-dione (PubChem CID 103430987) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4,7-dimethyl-2-(4-methylpiperidin-4-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4,7-dimethyl-2-(4-methylpiperidin-4-yl)isoindole-1,3-dione
PubChem CID103430987
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name4,7-dimethyl-2-(4-methylpiperidin-4-yl)isoindole-1,3-dione
SMILESCc1ccc(C)c2c1C(=O)N(C1(C)CCNCC1)C2=O
InChIInChI=1S/C16H20N2O2/c1-10-4-5-11(2)13-12(10)14(19)18(15(13)20)16(3)6-8-17-9-7-16/h4-5,17H,6-9H2,1-3H3
InChIKeyWCFMETFEIDWRAI-UHFFFAOYSA-N
XLogP2.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,7-dimethyl-2-(4-methylpiperidin-4-yl)isoindole-1,3-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

4,4-dimethyl-1-(4-methylpiperidin-4-yl)piperidine-2,6-dione
CID 114697504
3-methylidene-2-(4-methylpiperidin-4-yl)isoindol-1-one
CID 114697546
2-(azetidin-3-yl)-4,7-dimethylisoindole-1,3-dione
CID 103430966
2,2,4,7-tetramethylindene-1,3-dione
CID 139764535
3-methyl-1-(4-methylpiperidin-4-yl)-3-phenylpyrrolidine-2,5-dione
CID 114697465
(5aR)-5a,8-dimethyl-1,2,3,4,5,6-hexahydro-[1,4]diazepino[1,7-a]quinazolin-7-one
CID 58688229
2-(3-methylazetidin-3-yl)isoindole-1,3-dione
CID 131014758
6,7-dimethylspiro[2-benzofuran-3,4'-piperidine]-1-one
CID 91492916
4-amino-2-(1-methylcyclopentyl)isoindole-1,3-dione
CID 64686613
4,7-dimethyl-2-propan-2-ylisoindole-1,3-dione
CID 176633116
4,7-dimethyl-2-(2-methylpiperidin-4-yl)isoindole-1,3-dione
CID 106996376
4-methyl-4-[5-(4-methylphenyl)imidazol-1-yl]piperidine
CID 114697612

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-2-(4-methylpiperidin-4-yl)isoindole-1,3-dione?
The IUPAC name of 4,7-dimethyl-2-(4-methylpiperidin-4-yl)isoindole-1,3-dione (CID 103430987) is 4,7-dimethyl-2-(4-methylpiperidin-4-yl)isoindole-1,3-dione.
What is the SMILES notation for 4,7-dimethyl-2-(4-methylpiperidin-4-yl)isoindole-1,3-dione?
The canonical SMILES for 4,7-dimethyl-2-(4-methylpiperidin-4-yl)isoindole-1,3-dione is Cc1ccc(C)c2c1C(=O)N(C1(C)CCNCC1)C2=O.
What is the InChIKey of 4,7-dimethyl-2-(4-methylpiperidin-4-yl)isoindole-1,3-dione?
The InChIKey is WCFMETFEIDWRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10-4-5-11(2)13-12(10)14(19)18(15(13)20)16(3)6-8-17-9-7-16/h4-5,17H,6-9H2,1-3H3.
What are the key properties of 4,7-dimethyl-2-(4-methylpiperidin-4-yl)isoindole-1,3-dione?
4,7-dimethyl-2-(4-methylpiperidin-4-yl)isoindole-1,3-dione has a molecular weight of 272.35 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-2-(4-methylpiperidin-4-yl)isoindole-1,3-dione is sourced from PubChem (CID 103430987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).