3-hydroxy-2-[C-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbonimidoyl]inden-1-one

C20H26N2O2 — CID 135411329

IUPAC3-hydroxy-2-[C-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbonimidoyl]inden-1-one
SMILESC/C(=N\C1CC(C)(C)NC(C)(C)C1)C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C20H26N2O2/c1-12(21-13-10-19(2,3)22-20(4,5)11-13)16-17(23)14-8-6-7-9-15(14)18(16)24/h6-9,13,22-23H,10-11H2,1-5H3/b21-12+
InChIKeyOEHPHHNVMSYTET-CIAFOILYSA-N
MW326.44 g/mol
LogP3.92
Rot. Bonds2

About 3-hydroxy-2-[C-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbonimidoyl]inden-1-one

3-hydroxy-2-[C-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbonimidoyl]inden-1-one (PubChem CID 135411329) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-hydroxy-2-[C-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbonimidoyl]inden-1-one.

Molecular Properties

Compound Name3-hydroxy-2-[C-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbonimidoyl]inden-1-one
PubChem CID135411329
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name3-hydroxy-2-[C-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbonimidoyl]inden-1-one
SMILESC/C(=N\C1CC(C)(C)NC(C)(C)C1)C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C20H26N2O2/c1-12(21-13-10-19(2,3)22-20(4,5)11-13)16-17(23)14-8-6-7-9-15(14)18(16)24/h6-9,13,22-23H,10-11H2,1-5H3/b21-12+
InChIKeyOEHPHHNVMSYTET-CIAFOILYSA-N
XLogP3.92
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_C(7)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[C-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbonimidoyl]inden-1-one?
The IUPAC name of 3-hydroxy-2-[C-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbonimidoyl]inden-1-one (CID 135411329) is 3-hydroxy-2-[C-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbonimidoyl]inden-1-one.
What is the SMILES notation for 3-hydroxy-2-[C-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbonimidoyl]inden-1-one?
The canonical SMILES for 3-hydroxy-2-[C-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbonimidoyl]inden-1-one is C/C(=N\C1CC(C)(C)NC(C)(C)C1)C1=C(O)c2ccccc2C1=O.
What is the InChIKey of 3-hydroxy-2-[C-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbonimidoyl]inden-1-one?
The InChIKey is OEHPHHNVMSYTET-CIAFOILYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-12(21-13-10-19(2,3)22-20(4,5)11-13)16-17(23)14-8-6-7-9-15(14)18(16)24/h6-9,13,22-23H,10-11H2,1-5H3/b21-12+.
What are the key properties of 3-hydroxy-2-[C-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbonimidoyl]inden-1-one?
3-hydroxy-2-[C-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbonimidoyl]inden-1-one has a molecular weight of 326.44 g/mol, XLogP of 3.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[C-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbonimidoyl]inden-1-one is sourced from PubChem (CID 135411329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).