(4-fluorophenyl)-[(3S)-3-(1-pyridin-4-ylimidazol-4-yl)piperidin-1-yl]methanone

C20H19FN4O — CID 175246374

IUPAC(4-fluorophenyl)-[(3S)-3-(1-pyridin-4-ylimidazol-4-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCC[C@H](c2cn(-c3ccncc3)cn2)C1
InChIInChI=1S/C20H19FN4O/c21-17-5-3-15(4-6-17)20(26)24-11-1-2-16(12-24)19-13-25(14-23-19)18-7-9-22-10-8-18/h3-10,13-14,16H,1-2,11-12H2/t16-/m0/s1
InChIKeyWRDRECNXRQSGBE-INIZCTEOSA-N
MW350.40 g/mol
LogP3.43
Rot. Bonds3

About (4-fluorophenyl)-[(3S)-3-(1-pyridin-4-ylimidazol-4-yl)piperidin-1-yl]methanone

(4-fluorophenyl)-[(3S)-3-(1-pyridin-4-ylimidazol-4-yl)piperidin-1-yl]methanone (PubChem CID 175246374) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is (4-fluorophenyl)-[(3S)-3-(1-pyridin-4-ylimidazol-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[(3S)-3-(1-pyridin-4-ylimidazol-4-yl)piperidin-1-yl]methanone
PubChem CID175246374
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name(4-fluorophenyl)-[(3S)-3-(1-pyridin-4-ylimidazol-4-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCC[C@H](c2cn(-c3ccncc3)cn2)C1
InChIInChI=1S/C20H19FN4O/c21-17-5-3-15(4-6-17)20(26)24-11-1-2-16(12-24)19-13-25(14-23-19)18-7-9-22-10-8-18/h3-10,13-14,16H,1-2,11-12H2/t16-/m0/s1
InChIKeyWRDRECNXRQSGBE-INIZCTEOSA-N
XLogP3.43
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-fluorophenyl)-[3-(1-phenylimidazol-4-yl)piperidin-1-yl]methanone
CID 174501896
[(3R)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95818955
(4-fluorophenyl)-[(3S)-3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 95093694
(4-fluorophenyl)-[3-(4-fluorophenyl)piperidin-1-yl]methanone
CID 70334763
(4-fluorophenyl)-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 110249296
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 110256969
(4-fluorophenyl)-[3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 46965148
(4-fluorophenyl)-[(3S)-3-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone
CID 95838773
[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 124996356
[3-(1H-imidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110471318
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[(3S)-3-(1-pyridin-4-ylimidazol-4-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[(3S)-3-(1-pyridin-4-ylimidazol-4-yl)piperidin-1-yl]methanone (CID 175246374) is (4-fluorophenyl)-[(3S)-3-(1-pyridin-4-ylimidazol-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[(3S)-3-(1-pyridin-4-ylimidazol-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[(3S)-3-(1-pyridin-4-ylimidazol-4-yl)piperidin-1-yl]methanone is O=C(c1ccc(F)cc1)N1CCC[C@H](c2cn(-c3ccncc3)cn2)C1.
What is the InChIKey of (4-fluorophenyl)-[(3S)-3-(1-pyridin-4-ylimidazol-4-yl)piperidin-1-yl]methanone?
The InChIKey is WRDRECNXRQSGBE-INIZCTEOSA-N. The full InChI is InChI=1S/C20H19FN4O/c21-17-5-3-15(4-6-17)20(26)24-11-1-2-16(12-24)19-13-25(14-23-19)18-7-9-22-10-8-18/h3-10,13-14,16H,1-2,11-12H2/t16-/m0/s1.
What are the key properties of (4-fluorophenyl)-[(3S)-3-(1-pyridin-4-ylimidazol-4-yl)piperidin-1-yl]methanone?
(4-fluorophenyl)-[(3S)-3-(1-pyridin-4-ylimidazol-4-yl)piperidin-1-yl]methanone has a molecular weight of 350.40 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[(3S)-3-(1-pyridin-4-ylimidazol-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 175246374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).