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

C16H20N2O2 — CID 106996376

IUPAC4,7-dimethyl-2-(2-methylpiperidin-4-yl)isoindole-1,3-dione
SMILESCc1ccc(C)c2c1C(=O)N(C1CCNC(C)C1)C2=O
InChIInChI=1S/C16H20N2O2/c1-9-4-5-10(2)14-13(9)15(19)18(16(14)20)12-6-7-17-11(3)8-12/h4-5,11-12,17H,6-8H2,1-3H3
InChIKeyAIKXRUNOZSLPJA-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.04
Rot. Bonds1

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

4,7-dimethyl-2-(2-methylpiperidin-4-yl)isoindole-1,3-dione (PubChem CID 106996376) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4,7-dimethyl-2-(2-methylpiperidin-4-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4,7-dimethyl-2-(2-methylpiperidin-4-yl)isoindole-1,3-dione
PubChem CID106996376
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name4,7-dimethyl-2-(2-methylpiperidin-4-yl)isoindole-1,3-dione
SMILESCc1ccc(C)c2c1C(=O)N(C1CCNC(C)C1)C2=O
InChIInChI=1S/C16H20N2O2/c1-9-4-5-10(2)14-13(9)15(19)18(16(14)20)12-6-7-17-11(3)8-12/h4-5,11-12,17H,6-8H2,1-3H3
InChIKeyAIKXRUNOZSLPJA-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'}

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-2-(2-methylpiperidin-4-yl)isoindole-1,3-dione?
The IUPAC name of 4,7-dimethyl-2-(2-methylpiperidin-4-yl)isoindole-1,3-dione (CID 106996376) is 4,7-dimethyl-2-(2-methylpiperidin-4-yl)isoindole-1,3-dione.
What is the SMILES notation for 4,7-dimethyl-2-(2-methylpiperidin-4-yl)isoindole-1,3-dione?
The canonical SMILES for 4,7-dimethyl-2-(2-methylpiperidin-4-yl)isoindole-1,3-dione is Cc1ccc(C)c2c1C(=O)N(C1CCNC(C)C1)C2=O.
What is the InChIKey of 4,7-dimethyl-2-(2-methylpiperidin-4-yl)isoindole-1,3-dione?
The InChIKey is AIKXRUNOZSLPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-9-4-5-10(2)14-13(9)15(19)18(16(14)20)12-6-7-17-11(3)8-12/h4-5,11-12,17H,6-8H2,1-3H3.
What are the key properties of 4,7-dimethyl-2-(2-methylpiperidin-4-yl)isoindole-1,3-dione?
4,7-dimethyl-2-(2-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-(2-methylpiperidin-4-yl)isoindole-1,3-dione is sourced from PubChem (CID 106996376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).