imidazol-1-yl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone

C13H21N3O — CID 175064387

IUPACimidazol-1-yl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone
SMILESCC1(C)CCCC(C)(C)N1C(=O)n1ccnc1
InChIInChI=1S/C13H21N3O/c1-12(2)6-5-7-13(3,4)16(12)11(17)15-9-8-14-10-15/h8-10H,5-7H2,1-4H3
InChIKeyXLMOYAFOPJASRB-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.89
Rot. Bonds

About imidazol-1-yl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone

imidazol-1-yl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone (PubChem CID 175064387) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is imidazol-1-yl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Nameimidazol-1-yl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone
PubChem CID175064387
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Nameimidazol-1-yl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone
SMILESCC1(C)CCCC(C)(C)N1C(=O)n1ccnc1
InChIInChI=1S/C13H21N3O/c1-12(2)6-5-7-13(3,4)16(12)11(17)15-9-8-14-10-15/h8-10H,5-7H2,1-4H3
InChIKeyXLMOYAFOPJASRB-UHFFFAOYSA-N
XLogP2.89
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(imidazole-1-carbonyl)pyrrolidin-2-one
CID 19387298
di(imidazol-1-yl)methanone;1,3-dimethylurea;methanamine;methane
CID 159445529
N-(3,3-dimethylcyclobutyl)imidazole-1-carboxamide
CID 131092030
S-methyl imidazole-1-carbothioate
CID 59105486
di(imidazol-1-yl)methanone;pyrrol-1-yl(1,2,4-triazol-4-yl)methanone
CID 160726902
[2-(imidazole-1-carbonyl)cyclohexyl]-imidazol-1-ylmethanone
CID 121291495
CID 66782891
CID 66782891
1,4-bis(2,2,6,6-tetramethylpiperidin-1-yl)butane-1,4-dione
CID 90092167
imidazol-1-yl-(1-phenylcyclopentyl)methanone
CID 110464353
N-[1-(hydroxymethyl)cyclohexyl]imidazole-1-carboxamide
CID 81258007
8-(imidazole-1-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 81257107
ethene;1-(imidazole-1-carbonyl)piperidin-4-one
CID 67569256

Frequently Asked Questions

What is the IUPAC name of imidazol-1-yl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone?
The IUPAC name of imidazol-1-yl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone (CID 175064387) is imidazol-1-yl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone.
What is the SMILES notation for imidazol-1-yl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone?
The canonical SMILES for imidazol-1-yl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone is CC1(C)CCCC(C)(C)N1C(=O)n1ccnc1.
What is the InChIKey of imidazol-1-yl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone?
The InChIKey is XLMOYAFOPJASRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-12(2)6-5-7-13(3,4)16(12)11(17)15-9-8-14-10-15/h8-10H,5-7H2,1-4H3.
What are the key properties of imidazol-1-yl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone?
imidazol-1-yl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone has a molecular weight of 235.33 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imidazol-1-yl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone is sourced from PubChem (CID 175064387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).