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

C13H21N3O — CID 175064388

IUPAC1H-imidazol-2-yl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone
SMILESCC1(C)CCCC(C)(C)N1C(=O)c1ncc[nH]1
InChIInChI=1S/C13H21N3O/c1-12(2)6-5-7-13(3,4)16(12)11(17)10-14-8-9-15-10/h8-9H,5-7H2,1-4H3,(H,14,15)
InChIKeyKQXNSXGWTWBRTQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.59
Rot. Bonds1

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

1H-imidazol-2-yl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone (PubChem CID 175064388) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1H-imidazol-2-yl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name1H-imidazol-2-yl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone
PubChem CID175064388
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1H-imidazol-2-yl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone
SMILESCC1(C)CCCC(C)(C)N1C(=O)c1ncc[nH]1
InChIInChI=1S/C13H21N3O/c1-12(2)6-5-7-13(3,4)16(12)11(17)10-14-8-9-15-10/h8-9H,5-7H2,1-4H3,(H,14,15)
InChIKeyKQXNSXGWTWBRTQ-UHFFFAOYSA-N
XLogP2.59
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,3-dimethylcyclopentyl)-(1H-imidazol-2-yl)methanone
CID 572591
1-[4-[[4-hydroxy-1-(1H-imidazole-2-carbonyl)azepan-4-yl]methyl]piperazin-1-yl]ethanone
CID 110123347
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1H-imidazol-2-yl)methanone
CID 56747203
1-(1H-imidazole-2-carbonyl)piperidine-2-carboxylic acid
CID 110466478
1-adamantyl(1H-imidazol-2-yl)methanone
CID 69159284
(5-amino-3-methylpyrazol-1-yl)-(1H-imidazol-2-yl)methanone
CID 110466411
1,2,2,6,6-pentamethylpiperidine;phenyl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone
CID 159951364
1-(1H-imidazol-2-yl)-2-piperidin-1-ylethanone
CID 126736798
azane;cobalt;1H-imidazole-2-carboxylic acid
CID 175883152
1H-imidazol-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 126821129
ethane;ethyl 1H-imidazole-2-carboxylate
CID 143717895
cyclobutyl(1H-imidazol-2-yl)methanone;molecular hydrogen
CID 164859295

Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-2-yl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone?
The IUPAC name of 1H-imidazol-2-yl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone (CID 175064388) is 1H-imidazol-2-yl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone.
What is the SMILES notation for 1H-imidazol-2-yl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone?
The canonical SMILES for 1H-imidazol-2-yl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone is CC1(C)CCCC(C)(C)N1C(=O)c1ncc[nH]1.
What is the InChIKey of 1H-imidazol-2-yl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone?
The InChIKey is KQXNSXGWTWBRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-12(2)6-5-7-13(3,4)16(12)11(17)10-14-8-9-15-10/h8-9H,5-7H2,1-4H3,(H,14,15).
What are the key properties of 1H-imidazol-2-yl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone?
1H-imidazol-2-yl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone has a molecular weight of 235.33 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-2-yl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone is sourced from PubChem (CID 175064388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).