[4-(3-fluorophenoxy)piperidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone

C21H20FN3O2 — CID 70771795

IUPAC[4-(3-fluorophenoxy)piperidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone
SMILESO=C(c1ccccc1-c1ncc[nH]1)N1CCC(Oc2cccc(F)c2)CC1
InChIInChI=1S/C21H20FN3O2/c22-15-4-3-5-17(14-15)27-16-8-12-25(13-9-16)21(26)19-7-2-1-6-18(19)20-23-10-11-24-20/h1-7,10-11,14,16H,8-9,12-13H2,(H,23,24)
InChIKeyLZHYNDDLFHKRLV-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.90
Rot. Bonds4

About [4-(3-fluorophenoxy)piperidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone

[4-(3-fluorophenoxy)piperidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone (PubChem CID 70771795) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is [4-(3-fluorophenoxy)piperidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-(3-fluorophenoxy)piperidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone
PubChem CID70771795
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name[4-(3-fluorophenoxy)piperidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone
SMILESO=C(c1ccccc1-c1ncc[nH]1)N1CCC(Oc2cccc(F)c2)CC1
InChIInChI=1S/C21H20FN3O2/c22-15-4-3-5-17(14-15)27-16-8-12-25(13-9-16)21(26)19-7-2-1-6-18(19)20-23-10-11-24-20/h1-7,10-11,14,16H,8-9,12-13H2,(H,23,24)
InChIKeyLZHYNDDLFHKRLV-UHFFFAOYSA-N
XLogP3.90
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(3-fluorophenoxy)piperidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone with MolForge

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Related Compounds

[4-(3-fluorophenoxy)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95811364
3H-benzimidazol-5-yl-[4-(3-fluorophenoxy)piperidin-1-yl]methanone
CID 70779246
[2-(3-fluoroanilino)-3-pyridinyl]-(4-phenoxypiperidin-1-yl)methanone
CID 86833930
[2-(1H-imidazol-2-yl)phenyl]-[(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
CID 133138018
5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione
CID 86286555
[2-(difluoromethyl)pyrazol-3-yl]-[4-(3-fluorophenoxy)piperidin-1-yl]methanone
CID 70729638
(2-aminophenyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
CID 119945105
[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(2-fluorophenyl)methanone
CID 53038002
(2S)-4-[2-(1H-imidazol-2-yl)benzoyl]-1-methylpiperazine-2-carboxylic acid
CID 95206001
[4-(3-fluorophenoxy)piperidin-1-yl]-(4-methoxyquinolin-2-yl)methanone
CID 67168779
[(1S,5R)-3-hydroxy-9-azabicyclo[3.3.1]nonan-9-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone
CID 163308493
[4-(4-chlorophenoxy)piperidin-1-yl]-[4-(1H-imidazol-2-yl)phenyl]methanone
CID 166335707

Frequently Asked Questions

What is the IUPAC name of [4-(3-fluorophenoxy)piperidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone?
The IUPAC name of [4-(3-fluorophenoxy)piperidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone (CID 70771795) is [4-(3-fluorophenoxy)piperidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone.
What is the SMILES notation for [4-(3-fluorophenoxy)piperidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone?
The canonical SMILES for [4-(3-fluorophenoxy)piperidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone is O=C(c1ccccc1-c1ncc[nH]1)N1CCC(Oc2cccc(F)c2)CC1.
What is the InChIKey of [4-(3-fluorophenoxy)piperidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone?
The InChIKey is LZHYNDDLFHKRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c22-15-4-3-5-17(14-15)27-16-8-12-25(13-9-16)21(26)19-7-2-1-6-18(19)20-23-10-11-24-20/h1-7,10-11,14,16H,8-9,12-13H2,(H,23,24).
What are the key properties of [4-(3-fluorophenoxy)piperidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone?
[4-(3-fluorophenoxy)piperidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone has a molecular weight of 365.41 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluorophenoxy)piperidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone is sourced from PubChem (CID 70771795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).