[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-imidazol-1-ylmethanone

C22H22FN3O3 — CID 24744041

IUPAC[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-imidazol-1-ylmethanone
SMILESO=C(N1CCC(Oc2ccc(OCc3cccc(F)c3)cc2)CC1)n1ccnc1
InChIInChI=1S/C22H22FN3O3/c23-18-3-1-2-17(14-18)15-28-19-4-6-20(7-5-19)29-21-8-11-25(12-9-21)22(27)26-13-10-24-16-26/h1-7,10,13-14,16,21H,8-9,11-12,15H2
InChIKeyOREWKFOJIMJAPN-UHFFFAOYSA-N
MW395.43 g/mol
LogP4.11
Rot. Bonds5

About [4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-imidazol-1-ylmethanone

[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-imidazol-1-ylmethanone (PubChem CID 24744041) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is [4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-imidazol-1-ylmethanone.

Molecular Properties

Compound Name[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-imidazol-1-ylmethanone
PubChem CID24744041
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-imidazol-1-ylmethanone
SMILESO=C(N1CCC(Oc2ccc(OCc3cccc(F)c3)cc2)CC1)n1ccnc1
InChIInChI=1S/C22H22FN3O3/c23-18-3-1-2-17(14-18)15-28-19-4-6-20(7-5-19)29-21-8-11-25(12-9-21)22(27)26-13-10-24-16-26/h1-7,10,13-14,16,21H,8-9,11-12,15H2
InChIKeyOREWKFOJIMJAPN-UHFFFAOYSA-N
XLogP4.11
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-imidazol-1-ylmethanone?
The IUPAC name of [4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-imidazol-1-ylmethanone (CID 24744041) is [4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-imidazol-1-ylmethanone.
What is the SMILES notation for [4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-imidazol-1-ylmethanone?
The canonical SMILES for [4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-imidazol-1-ylmethanone is O=C(N1CCC(Oc2ccc(OCc3cccc(F)c3)cc2)CC1)n1ccnc1.
What is the InChIKey of [4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-imidazol-1-ylmethanone?
The InChIKey is OREWKFOJIMJAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c23-18-3-1-2-17(14-18)15-28-19-4-6-20(7-5-19)29-21-8-11-25(12-9-21)22(27)26-13-10-24-16-26/h1-7,10,13-14,16,21H,8-9,11-12,15H2.
What are the key properties of [4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-imidazol-1-ylmethanone?
[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-imidazol-1-ylmethanone has a molecular weight of 395.43 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-imidazol-1-ylmethanone is sourced from PubChem (CID 24744041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).