5-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-1,2,2-trimethyl-5-azaspiro[2.4]heptane-4,6-dione

C19H32N2O3 — CID 167134000

IUPAC5-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-1,2,2-trimethyl-5-azaspiro[2.4]heptane-4,6-dione
SMILESCC1C(C)(C)C12CC(=O)N(CC1CC(C)(C)N(O)C(C)(C)C1)C2=O
InChIInChI=1S/C19H32N2O3/c1-12-18(6,7)19(12)10-14(22)20(15(19)23)11-13-8-16(2,3)21(24)17(4,5)9-13/h12-13,24H,8-11H2,1-7H3
InChIKeyYNAHSVPBLFIXLF-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.07
Rot. Bonds2

About 5-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-1,2,2-trimethyl-5-azaspiro[2.4]heptane-4,6-dione

5-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-1,2,2-trimethyl-5-azaspiro[2.4]heptane-4,6-dione (PubChem CID 167134000) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is 5-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-1,2,2-trimethyl-5-azaspiro[2.4]heptane-4,6-dione.

Molecular Properties

Compound Name5-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-1,2,2-trimethyl-5-azaspiro[2.4]heptane-4,6-dione
PubChem CID167134000
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Name5-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-1,2,2-trimethyl-5-azaspiro[2.4]heptane-4,6-dione
SMILESCC1C(C)(C)C12CC(=O)N(CC1CC(C)(C)N(O)C(C)(C)C1)C2=O
InChIInChI=1S/C19H32N2O3/c1-12-18(6,7)19(12)10-14(22)20(15(19)23)11-13-8-16(2,3)21(24)17(4,5)9-13/h12-13,24H,8-11H2,1-7H3
InChIKeyYNAHSVPBLFIXLF-UHFFFAOYSA-N
XLogP3.07
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
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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Related Compounds

3-tert-butyl-1-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolidine-2,5-dione
CID 147841672
4-[(2,5-dimethylpyrrol-1-yl)methyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 91453919
2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 66687478
1-hydroxy-2,2,4,6,6-pentamethylpiperidine
CID 162143693
1-ethyl-3-methyl-5-methylidenepyrrolidin-2-one;3-methyl-5-methylidene-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidin-2-one
CID 158646105
1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-3-[1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2,5-dioxopyrrolidin-3-yl]pyrrolidine-2,5-dione
CID 163804231
5-[(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid
CID 65301856
3,3-dimethyl-1-(2-oxopropyl)pyrrolidine-2,5-dione
CID 65301965
1-[(3-hydroxycyclohexyl)methyl]-4,4-dimethylpiperidine-2,6-dione
CID 114147569
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,5-dimethylcyclopentane-1,2-dicarboxylate
CID 129208299
2-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)ethoxy]-2-oxoacetic acid
CID 151971487
acetylene;2-amino-3-(cyclopropylmethyl)-6,6-dimethyl-5H-pyrimidin-4-one;ethane
CID 156742922

Frequently Asked Questions

What is the IUPAC name of 5-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-1,2,2-trimethyl-5-azaspiro[2.4]heptane-4,6-dione?
The IUPAC name of 5-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-1,2,2-trimethyl-5-azaspiro[2.4]heptane-4,6-dione (CID 167134000) is 5-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-1,2,2-trimethyl-5-azaspiro[2.4]heptane-4,6-dione.
What is the SMILES notation for 5-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-1,2,2-trimethyl-5-azaspiro[2.4]heptane-4,6-dione?
The canonical SMILES for 5-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-1,2,2-trimethyl-5-azaspiro[2.4]heptane-4,6-dione is CC1C(C)(C)C12CC(=O)N(CC1CC(C)(C)N(O)C(C)(C)C1)C2=O.
What is the InChIKey of 5-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-1,2,2-trimethyl-5-azaspiro[2.4]heptane-4,6-dione?
The InChIKey is YNAHSVPBLFIXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-12-18(6,7)19(12)10-14(22)20(15(19)23)11-13-8-16(2,3)21(24)17(4,5)9-13/h12-13,24H,8-11H2,1-7H3.
What are the key properties of 5-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-1,2,2-trimethyl-5-azaspiro[2.4]heptane-4,6-dione?
5-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-1,2,2-trimethyl-5-azaspiro[2.4]heptane-4,6-dione has a molecular weight of 336.48 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 5-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-1,2,2-trimethyl-5-azaspiro[2.4]heptane-4,6-dione is sourced from PubChem (CID 167134000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).