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

C18H30N2O2 — CID 3018858

IUPAC5-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
SMILESCC1CCC2C(=O)N(C3CC(C)(C)NC(C)(C)C3)C(=O)C2C1
InChIInChI=1S/C18H30N2O2/c1-11-6-7-13-14(8-11)16(22)20(15(13)21)12-9-17(2,3)19-18(4,5)10-12/h11-14,19H,6-10H2,1-5H3
InChIKeyWWHKCKYSXZTSEP-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.72
Rot. Bonds1

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

5-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (PubChem CID 3018858) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 5-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione.

Molecular Properties

Compound Name5-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
PubChem CID3018858
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name5-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
SMILESCC1CCC2C(=O)N(C3CC(C)(C)NC(C)(C)C3)C(=O)C2C1
InChIInChI=1S/C18H30N2O2/c1-11-6-7-13-14(8-11)16(22)20(15(13)21)12-9-17(2,3)19-18(4,5)10-12/h11-14,19H,6-10H2,1-5H3
InChIKeyWWHKCKYSXZTSEP-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.72
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 5-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
The IUPAC name of 5-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (CID 3018858) is 5-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione.
What is the SMILES notation for 5-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
The canonical SMILES for 5-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione is CC1CCC2C(=O)N(C3CC(C)(C)NC(C)(C)C3)C(=O)C2C1.
What is the InChIKey of 5-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
The InChIKey is WWHKCKYSXZTSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-11-6-7-13-14(8-11)16(22)20(15(13)21)12-9-17(2,3)19-18(4,5)10-12/h11-14,19H,6-10H2,1-5H3.
What are the key properties of 5-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
5-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione has a molecular weight of 306.45 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione is sourced from PubChem (CID 3018858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).