2-(2,2,6,6-tetramethylpiperidin-4-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

C17H28N2O2 — CID 3018856

IUPAC2-(2,2,6,6-tetramethylpiperidin-4-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
SMILESCC1(C)CC(N2C(=O)C3CCCCC3C2=O)CC(C)(C)N1
InChIInChI=1S/C17H28N2O2/c1-16(2)9-11(10-17(3,4)18-16)19-14(20)12-7-5-6-8-13(12)15(19)21/h11-13,18H,5-10H2,1-4H3
InChIKeyOXAUHFISPWLGBV-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.47
Rot. Bonds1

About 2-(2,2,6,6-tetramethylpiperidin-4-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

2-(2,2,6,6-tetramethylpiperidin-4-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (PubChem CID 3018856) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-(2,2,6,6-tetramethylpiperidin-4-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,2,6,6-tetramethylpiperidin-4-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
PubChem CID3018856
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-(2,2,6,6-tetramethylpiperidin-4-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
SMILESCC1(C)CC(N2C(=O)C3CCCCC3C2=O)CC(C)(C)N1
InChIInChI=1S/C17H28N2O2/c1-16(2)9-11(10-17(3,4)18-16)19-14(20)12-7-5-6-8-13(12)15(19)21/h11-13,18H,5-10H2,1-4H3
InChIKeyOXAUHFISPWLGBV-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.47
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 2-(2,2,6,6-tetramethylpiperidin-4-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
The IUPAC name of 2-(2,2,6,6-tetramethylpiperidin-4-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (CID 3018856) is 2-(2,2,6,6-tetramethylpiperidin-4-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione.
What is the SMILES notation for 2-(2,2,6,6-tetramethylpiperidin-4-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
The canonical SMILES for 2-(2,2,6,6-tetramethylpiperidin-4-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione is CC1(C)CC(N2C(=O)C3CCCCC3C2=O)CC(C)(C)N1.
What is the InChIKey of 2-(2,2,6,6-tetramethylpiperidin-4-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
The InChIKey is OXAUHFISPWLGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-16(2)9-11(10-17(3,4)18-16)19-14(20)12-7-5-6-8-13(12)15(19)21/h11-13,18H,5-10H2,1-4H3.
What are the key properties of 2-(2,2,6,6-tetramethylpiperidin-4-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
2-(2,2,6,6-tetramethylpiperidin-4-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione has a molecular weight of 292.42 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,6,6-tetramethylpiperidin-4-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione is sourced from PubChem (CID 3018856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).