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

C21H20FN3O — CID 44565850

IUPAC[4-(4-fluorophenyl)phenyl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C21H20FN3O/c22-19-7-5-16(6-8-19)15-1-3-18(4-2-15)21(26)25-13-9-17(10-14-25)20-23-11-12-24-20/h1-8,11-12,17H,9-10,13-14H2,(H,23,24)
InChIKeyGSXRIRHZIVNZEF-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.24
Rot. Bonds3

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

[4-(4-fluorophenyl)phenyl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 44565850) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is [4-(4-fluorophenyl)phenyl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)phenyl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
PubChem CID44565850
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC Name[4-(4-fluorophenyl)phenyl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C21H20FN3O/c22-19-7-5-16(6-8-19)15-1-3-18(4-2-15)21(26)25-13-9-17(10-14-25)20-23-11-12-24-20/h1-8,11-12,17H,9-10,13-14H2,(H,23,24)
InChIKeyGSXRIRHZIVNZEF-UHFFFAOYSA-N
XLogP4.24
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(R-Carboxy-Ethyl)-Alpha-(S)-(2-Phenylethyl)
CID 657149
4-((S)-2-amino-3-oxo-3-((S)-2-(4-phenyl-1H-imidazol-2-yl)piperidin-1-yl)propyl)-3,5-dimethylbenzamide
CID 10343492
(4-((1H-imidazol-2-yl)methyl)piperidin-1-yl)(4'-fluoro-[1,1'-biphenyl]-4-yl)methanone
CID 44138039
(4-((1H-imidazol-2-yl)methyl)piperidin-1-yl)(biphenyl-4-yl)methanone
CID 44565831
N-[3-(1H-imidazol-1-yl)propyl]-3,4-dimethylbenzamide
CID 2862530
N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbenzamide
CID 7694012
4-[4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide
CID 3235310
2,6-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 2970447
N-[3-(1H-imidazol-1-yl)propyl][1,1'-biphenyl]-4-carboxamide
CID 3433998
2-Fluoro-N-(3-imidazol-1-yl-propyl)-benzamide
CID 17065330
(4-(1-benzyl-1H-imidazol-2-yl)-4-phenylpiperidin-1-yl)(phenyl)methanone
CID 9802297
4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]-N-[4-(dipropylamino)butyl]benzamide
CID 9956148

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)phenyl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [4-(4-fluorophenyl)phenyl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone (CID 44565850) is [4-(4-fluorophenyl)phenyl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)phenyl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)phenyl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone is O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(c2ncc[nH]2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)phenyl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is GSXRIRHZIVNZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c22-19-7-5-16(6-8-19)15-1-3-18(4-2-15)21(26)25-13-9-17(10-14-25)20-23-11-12-24-20/h1-8,11-12,17H,9-10,13-14H2,(H,23,24).
What are the key properties of [4-(4-fluorophenyl)phenyl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone?
[4-(4-fluorophenyl)phenyl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 349.41 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)phenyl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 44565850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).