N-(1-ethylpiperidin-4-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide

C12H17F3N4O — CID 138033986

IUPACN-(1-ethylpiperidin-4-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide
SMILESCCN1CCC(NC(=O)c2nc[nH]c2C(F)(F)F)CC1
InChIInChI=1S/C12H17F3N4O/c1-2-19-5-3-8(4-6-19)18-11(20)9-10(12(13,14)15)17-7-16-9/h7-8H,2-6H2,1H3,(H,16,17)(H,18,20)
InChIKeyXLBNIIWGUJGYSW-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.64
Rot. Bonds3

About N-(1-ethylpiperidin-4-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide

N-(1-ethylpiperidin-4-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide (PubChem CID 138033986) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide
PubChem CID138033986
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC NameN-(1-ethylpiperidin-4-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide
SMILESCCN1CCC(NC(=O)c2nc[nH]c2C(F)(F)F)CC1
InChIInChI=1S/C12H17F3N4O/c1-2-19-5-3-8(4-6-19)18-11(20)9-10(12(13,14)15)17-7-16-9/h7-8H,2-6H2,1H3,(H,16,17)(H,18,20)
InChIKeyXLBNIIWGUJGYSW-UHFFFAOYSA-N
XLogP1.64
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-methyl-2-oxopiperidin-3-yl)azetidin-3-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide
CID 167893060
3-amino-N-(1-ethylpiperidin-4-yl)pyrazine-2-carboxamide
CID 30768284
N-(1-ethylpiperidin-4-yl)pyridine-4-carboxamide
CID 17249927
3,5-dibromo-N-(1-ethylpiperidin-4-yl)benzamide
CID 103907480
N-(1-ethylpiperidin-4-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717406
4-amino-N-(1-ethylpiperidin-4-yl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62082306
N-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide
CID 69401322
N-(1-ethylpiperidin-4-yl)-3,4-dimethylbenzamide
CID 17249701
3-(2,2-difluoroethoxy)-N-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide
CID 75369663
N-(1-ethylpiperidin-4-yl)-2,4-difluorobenzamide
CID 36811979
N-(1-ethylpiperidin-4-yl)-3-(methylsulfanylmethyl)pyridine-2-carboxamide
CID 146089271
4-cyano-N-(1-ethylpiperidin-4-yl)benzamide
CID 9091097

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide (CID 138033986) is N-(1-ethylpiperidin-4-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide is CCN1CCC(NC(=O)c2nc[nH]c2C(F)(F)F)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide?
The InChIKey is XLBNIIWGUJGYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-2-19-5-3-8(4-6-19)18-11(20)9-10(12(13,14)15)17-7-16-9/h7-8H,2-6H2,1H3,(H,16,17)(H,18,20).
What are the key properties of N-(1-ethylpiperidin-4-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide?
N-(1-ethylpiperidin-4-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide has a molecular weight of 290.29 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-5-(trifluoromethyl)-1H-imidazole-4-carboxamide is sourced from PubChem (CID 138033986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).