3-tert-butyl-1-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolidine-2,5-dione

C18H32N2O3 — CID 147841672

IUPAC3-tert-butyl-1-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolidine-2,5-dione
SMILESCC(C)(C)C1CC(=O)N(CC2CC(C)(C)N(O)C(C)(C)C2)C1=O
InChIInChI=1S/C18H32N2O3/c1-16(2,3)13-8-14(21)19(15(13)22)11-12-9-17(4,5)20(23)18(6,7)10-12/h12-13,23H,8-11H2,1-7H3
InChIKeyHTBZTMKVTLSLTP-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.07
Rot. Bonds2

About 3-tert-butyl-1-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolidine-2,5-dione

3-tert-butyl-1-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolidine-2,5-dione (PubChem CID 147841672) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is 3-tert-butyl-1-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-1-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolidine-2,5-dione
PubChem CID147841672
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC Name3-tert-butyl-1-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolidine-2,5-dione
SMILESCC(C)(C)C1CC(=O)N(CC2CC(C)(C)N(O)C(C)(C)C2)C1=O
InChIInChI=1S/C18H32N2O3/c1-16(2,3)13-8-14(21)19(15(13)22)11-12-9-17(4,5)20(23)18(6,7)10-12/h12-13,23H,8-11H2,1-7H3
InChIKeyHTBZTMKVTLSLTP-UHFFFAOYSA-N
XLogP3.07
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-tert-butyl-1-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolidine-2,5-dione (CID 147841672) is 3-tert-butyl-1-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-1-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-tert-butyl-1-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolidine-2,5-dione is CC(C)(C)C1CC(=O)N(CC2CC(C)(C)N(O)C(C)(C)C2)C1=O.
What is the InChIKey of 3-tert-butyl-1-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolidine-2,5-dione?
The InChIKey is HTBZTMKVTLSLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-16(2,3)13-8-14(21)19(15(13)22)11-12-9-17(4,5)20(23)18(6,7)10-12/h12-13,23H,8-11H2,1-7H3.
What are the key properties of 3-tert-butyl-1-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolidine-2,5-dione?
3-tert-butyl-1-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolidine-2,5-dione has a molecular weight of 324.47 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 147841672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).