N-(3-methoxypiperidin-4-yl)-5-(trifluoromethyl)-1H-imidazole-2-carboxamide

C11H15F3N4O2 — CID 141335246

IUPACN-(3-methoxypiperidin-4-yl)-5-(trifluoromethyl)-1H-imidazole-2-carboxamide
SMILESCOC1CNCCC1NC(=O)c1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C11H15F3N4O2/c1-20-7-4-15-3-2-6(7)17-10(19)9-16-5-8(18-9)11(12,13)14/h5-7,15H,2-4H2,1H3,(H,16,18)(H,17,19)
InChIKeyILPFRAIBLVLQAL-UHFFFAOYSA-N
MW292.26 g/mol
LogP0.54
Rot. Bonds3

About N-(3-methoxypiperidin-4-yl)-5-(trifluoromethyl)-1H-imidazole-2-carboxamide

N-(3-methoxypiperidin-4-yl)-5-(trifluoromethyl)-1H-imidazole-2-carboxamide (PubChem CID 141335246) has the molecular formula C11H15F3N4O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is N-(3-methoxypiperidin-4-yl)-5-(trifluoromethyl)-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypiperidin-4-yl)-5-(trifluoromethyl)-1H-imidazole-2-carboxamide
PubChem CID141335246
Molecular FormulaC11H15F3N4O2
Molecular Weight292.26 g/mol
Exact Mass292.11
IUPAC NameN-(3-methoxypiperidin-4-yl)-5-(trifluoromethyl)-1H-imidazole-2-carboxamide
SMILESCOC1CNCCC1NC(=O)c1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C11H15F3N4O2/c1-20-7-4-15-3-2-6(7)17-10(19)9-16-5-8(18-9)11(12,13)14/h5-7,15H,2-4H2,1H3,(H,16,18)(H,17,19)
InChIKeyILPFRAIBLVLQAL-UHFFFAOYSA-N
XLogP0.54
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypiperidin-4-yl)-5-(trifluoromethyl)-1H-imidazole-2-carboxamide?
The IUPAC name of N-(3-methoxypiperidin-4-yl)-5-(trifluoromethyl)-1H-imidazole-2-carboxamide (CID 141335246) is N-(3-methoxypiperidin-4-yl)-5-(trifluoromethyl)-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-(3-methoxypiperidin-4-yl)-5-(trifluoromethyl)-1H-imidazole-2-carboxamide?
The canonical SMILES for N-(3-methoxypiperidin-4-yl)-5-(trifluoromethyl)-1H-imidazole-2-carboxamide is COC1CNCCC1NC(=O)c1ncc(C(F)(F)F)[nH]1.
What is the InChIKey of N-(3-methoxypiperidin-4-yl)-5-(trifluoromethyl)-1H-imidazole-2-carboxamide?
The InChIKey is ILPFRAIBLVLQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O2/c1-20-7-4-15-3-2-6(7)17-10(19)9-16-5-8(18-9)11(12,13)14/h5-7,15H,2-4H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-(3-methoxypiperidin-4-yl)-5-(trifluoromethyl)-1H-imidazole-2-carboxamide?
N-(3-methoxypiperidin-4-yl)-5-(trifluoromethyl)-1H-imidazole-2-carboxamide has a molecular weight of 292.26 g/mol, XLogP of 0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypiperidin-4-yl)-5-(trifluoromethyl)-1H-imidazole-2-carboxamide is sourced from PubChem (CID 141335246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).