tert-butyl 4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]piperidine-1-carboxylate

C24H27FN4O2 — CID 22464166

IUPACtert-butyl 4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccncc2)CC1
InChIInChI=1S/C24H27FN4O2/c1-24(2,3)31-23(30)28-14-10-20(11-15-28)29-16-27-21(17-4-6-19(25)7-5-17)22(29)18-8-12-26-13-9-18/h4-9,12-13,16,20H,10-11,14-15H2,1-3H3
InChIKeyCGEHCXXEGJMIKM-UHFFFAOYSA-N
MW422.50 g/mol
LogP5.32
Rot. Bonds3

About tert-butyl 4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]piperidine-1-carboxylate

tert-butyl 4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]piperidine-1-carboxylate (PubChem CID 22464166) has the molecular formula C24H27FN4O2 and a molecular weight of 422.50 g/mol. Its IUPAC name is tert-butyl 4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]piperidine-1-carboxylate
PubChem CID22464166
Molecular FormulaC24H27FN4O2
Molecular Weight422.50 g/mol
Exact Mass422.21
IUPAC Nametert-butyl 4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccncc2)CC1
InChIInChI=1S/C24H27FN4O2/c1-24(2,3)31-23(30)28-14-10-20(11-15-28)29-16-27-21(17-4-6-19(25)7-5-17)22(29)18-8-12-26-13-9-18/h4-9,12-13,16,20H,10-11,14-15H2,1-3H3
InChIKeyCGEHCXXEGJMIKM-UHFFFAOYSA-N
XLogP5.32
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.50
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]piperidine-1-carboxylate (CID 22464166) is tert-butyl 4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccncc2)CC1.
What is the InChIKey of tert-butyl 4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]piperidine-1-carboxylate?
The InChIKey is CGEHCXXEGJMIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O2/c1-24(2,3)31-23(30)28-14-10-20(11-15-28)29-16-27-21(17-4-6-19(25)7-5-17)22(29)18-8-12-26-13-9-18/h4-9,12-13,16,20H,10-11,14-15H2,1-3H3.
What are the key properties of tert-butyl 4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]piperidine-1-carboxylate?
tert-butyl 4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]piperidine-1-carboxylate has a molecular weight of 422.50 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 22464166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).