(3-ethyl-4-pyridinyl)-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone

C17H19F3N4O — CID 129346899

IUPAC(3-ethyl-4-pyridinyl)-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
SMILESCCc1cnccc1C(=O)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1
InChIInChI=1S/C17H19F3N4O/c1-2-11-8-21-6-5-13(11)16(25)24-7-3-4-12(10-24)15-22-9-14(23-15)17(18,19)20/h5-6,8-9,12H,2-4,7,10H2,1H3,(H,22,23)/t12-/m1/s1
InChIKeyKJRREQUPGPENKW-GFCCVEGCSA-N
MW352.36 g/mol
LogP3.41
Rot. Bonds3

About (3-ethyl-4-pyridinyl)-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone

(3-ethyl-4-pyridinyl)-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 129346899) has the molecular formula C17H19F3N4O and a molecular weight of 352.36 g/mol. Its IUPAC name is (3-ethyl-4-pyridinyl)-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-4-pyridinyl)-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID129346899
Molecular FormulaC17H19F3N4O
Molecular Weight352.36 g/mol
Exact Mass352.15
IUPAC Name(3-ethyl-4-pyridinyl)-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
SMILESCCc1cnccc1C(=O)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1
InChIInChI=1S/C17H19F3N4O/c1-2-11-8-21-6-5-13(11)16(25)24-7-3-4-12(10-24)15-22-9-14(23-15)17(18,19)20/h5-6,8-9,12H,2-4,7,10H2,1H3,(H,22,23)/t12-/m1/s1
InChIKeyKJRREQUPGPENKW-GFCCVEGCSA-N
XLogP3.41
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluoro-4-pyridinyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 129479643
(3-chloro-4-pyridinyl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 128996043
(4-fluoro-2-methylphenyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 129479438
(2-fluoro-4-methylphenyl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 128995235
(2,3-difluorophenyl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 128996049
(5-ethyl-1H-pyrazol-3-yl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 129479436
(3-methyl-2-pyridinyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 129479723
2-methyl-3-oxo-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propanoic acid
CID 122066237
1,2-oxazol-3-yl-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 129479672
1,2-oxazol-3-yl-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 129479671
1,2-oxazol-3-yl-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 128996053
(3-cyclopropyl-1,2-oxazol-4-yl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 128989695

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4-pyridinyl)-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (3-ethyl-4-pyridinyl)-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone (CID 129346899) is (3-ethyl-4-pyridinyl)-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-ethyl-4-pyridinyl)-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3-ethyl-4-pyridinyl)-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone is CCc1cnccc1C(=O)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1.
What is the InChIKey of (3-ethyl-4-pyridinyl)-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is KJRREQUPGPENKW-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19F3N4O/c1-2-11-8-21-6-5-13(11)16(25)24-7-3-4-12(10-24)15-22-9-14(23-15)17(18,19)20/h5-6,8-9,12H,2-4,7,10H2,1H3,(H,22,23)/t12-/m1/s1.
What are the key properties of (3-ethyl-4-pyridinyl)-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
(3-ethyl-4-pyridinyl)-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 352.36 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4-pyridinyl)-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 129346899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).