pyridin-3-yl 4-[2-(4-fluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate

C20H19FN4O2 — CID 58270813

IUPACpyridin-3-yl 4-[2-(4-fluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate
SMILESO=C(Oc1cccnc1)N1CCC(C2=NC(c3ccc(F)cc3)=NC2)CC1
InChIInChI=1S/C20H19FN4O2/c21-16-5-3-15(4-6-16)19-23-13-18(24-19)14-7-10-25(11-8-14)20(26)27-17-2-1-9-22-12-17/h1-6,9,12,14H,7-8,10-11,13H2
InChIKeyYUEPSUDIQZQVDB-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.33
Rot. Bonds3

About pyridin-3-yl 4-[2-(4-fluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate

pyridin-3-yl 4-[2-(4-fluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate (PubChem CID 58270813) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is pyridin-3-yl 4-[2-(4-fluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namepyridin-3-yl 4-[2-(4-fluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate
PubChem CID58270813
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Namepyridin-3-yl 4-[2-(4-fluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate
SMILESO=C(Oc1cccnc1)N1CCC(C2=NC(c3ccc(F)cc3)=NC2)CC1
InChIInChI=1S/C20H19FN4O2/c21-16-5-3-15(4-6-16)19-23-13-18(24-19)14-7-10-25(11-8-14)20(26)27-17-2-1-9-22-12-17/h1-6,9,12,14H,7-8,10-11,13H2
InChIKeyYUEPSUDIQZQVDB-UHFFFAOYSA-N
XLogP3.33
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methyl-3-pyridinyl) 4-(2-phenyl-4H-imidazol-5-yl)piperidine-1-carboxylate
CID 58270760
(2,6-dimethyl-3-pyridinyl) 4-[2-(3,5-difluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate
CID 58270804
pyridin-3-yl 4-[[2-(3-fluorophenyl)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate
CID 58270742
pyridin-3-yl 4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate
CID 58270792
tert-butyl 4-[2-(3-chlorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate
CID 58270762
4-methylbenzenesulfonic acid;pyridin-3-yl 4-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate
CID 162311499
phenyl 4-(pyridine-3-carbonylamino)piperidine-1-carboxylate
CID 110821885
(2-methyl-3-pyridinyl) 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 58270829
4-methylbenzenesulfonic acid;pyridin-3-yl 4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate
CID 162328441
benzene;diiodomethane;ethane;pyridin-3-yl 4-(3-oxobutanoyl)piperidine-1-carboxylate;hydroiodide
CID 161221158
1-O-benzyl 4-O-pyridin-3-yl piperazine-1,4-dicarboxylate
CID 58417900
phenyl 4-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]piperidine-1-carboxylate
CID 56682752

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl 4-[2-(4-fluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate?
The IUPAC name of pyridin-3-yl 4-[2-(4-fluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate (CID 58270813) is pyridin-3-yl 4-[2-(4-fluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate.
What is the SMILES notation for pyridin-3-yl 4-[2-(4-fluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate?
The canonical SMILES for pyridin-3-yl 4-[2-(4-fluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate is O=C(Oc1cccnc1)N1CCC(C2=NC(c3ccc(F)cc3)=NC2)CC1.
What is the InChIKey of pyridin-3-yl 4-[2-(4-fluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate?
The InChIKey is YUEPSUDIQZQVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c21-16-5-3-15(4-6-16)19-23-13-18(24-19)14-7-10-25(11-8-14)20(26)27-17-2-1-9-22-12-17/h1-6,9,12,14H,7-8,10-11,13H2.
What are the key properties of pyridin-3-yl 4-[2-(4-fluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate?
pyridin-3-yl 4-[2-(4-fluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate has a molecular weight of 366.40 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl 4-[2-(4-fluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate is sourced from PubChem (CID 58270813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).