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

C15H14F4N4O — CID 129479643

IUPAC(3-fluoro-4-pyridinyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccncc1F)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1
InChIInChI=1S/C15H14F4N4O/c16-11-6-20-4-3-10(11)14(24)23-5-1-2-9(8-23)13-21-7-12(22-13)15(17,18)19/h3-4,6-7,9H,1-2,5,8H2,(H,21,22)/t9-/m0/s1
InChIKeyMRJBZUUQDBQNOR-VIFPVBQESA-N
MW342.30 g/mol
LogP2.98
Rot. Bonds2

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

(3-fluoro-4-pyridinyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 129479643) has the molecular formula C15H14F4N4O and a molecular weight of 342.30 g/mol. Its IUPAC name is (3-fluoro-4-pyridinyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-pyridinyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID129479643
Molecular FormulaC15H14F4N4O
Molecular Weight342.30 g/mol
Exact Mass342.11
IUPAC Name(3-fluoro-4-pyridinyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccncc1F)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1
InChIInChI=1S/C15H14F4N4O/c16-11-6-20-4-3-10(11)14(24)23-5-1-2-9(8-23)13-21-7-12(22-13)15(17,18)19/h3-4,6-7,9H,1-2,5,8H2,(H,21,22)/t9-/m0/s1
InChIKeyMRJBZUUQDBQNOR-VIFPVBQESA-N
XLogP2.98
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-4-pyridinyl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 128996043
(3-ethyl-4-pyridinyl)-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 129346899
(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
(4-fluoro-2-methylphenyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 129479438
1,2-oxazol-3-yl-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 128996053
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
(3-methyl-2-pyridinyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 129479723
(3-cyclopropyl-1,2-oxazol-4-yl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 128989695
2-methyl-3-oxo-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propanoic acid
CID 122066237
(3-fluoro-4-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 115646202

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-pyridinyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (3-fluoro-4-pyridinyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone (CID 129479643) is (3-fluoro-4-pyridinyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-fluoro-4-pyridinyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3-fluoro-4-pyridinyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone is O=C(c1ccncc1F)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1.
What is the InChIKey of (3-fluoro-4-pyridinyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is MRJBZUUQDBQNOR-VIFPVBQESA-N. The full InChI is InChI=1S/C15H14F4N4O/c16-11-6-20-4-3-10(11)14(24)23-5-1-2-9(8-23)13-21-7-12(22-13)15(17,18)19/h3-4,6-7,9H,1-2,5,8H2,(H,21,22)/t9-/m0/s1.
What are the key properties of (3-fluoro-4-pyridinyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
(3-fluoro-4-pyridinyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 342.30 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-pyridinyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 129479643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).