(4-fluorophenyl)-[3-(1-phenylimidazol-4-yl)piperidin-1-yl]methanone

C21H20FN3O — CID 174501896

IUPAC(4-fluorophenyl)-[3-(1-phenylimidazol-4-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCCC(c2cn(-c3ccccc3)cn2)C1
InChIInChI=1S/C21H20FN3O/c22-18-10-8-16(9-11-18)21(26)24-12-4-5-17(13-24)20-14-25(15-23-20)19-6-2-1-3-7-19/h1-3,6-11,14-15,17H,4-5,12-13H2
InChIKeyIGQQCUZOTXWWJQ-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.03
Rot. Bonds3

About (4-fluorophenyl)-[3-(1-phenylimidazol-4-yl)piperidin-1-yl]methanone

(4-fluorophenyl)-[3-(1-phenylimidazol-4-yl)piperidin-1-yl]methanone (PubChem CID 174501896) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is (4-fluorophenyl)-[3-(1-phenylimidazol-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[3-(1-phenylimidazol-4-yl)piperidin-1-yl]methanone
PubChem CID174501896
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC Name(4-fluorophenyl)-[3-(1-phenylimidazol-4-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCCC(c2cn(-c3ccccc3)cn2)C1
InChIInChI=1S/C21H20FN3O/c22-18-10-8-16(9-11-18)21(26)24-12-4-5-17(13-24)20-14-25(15-23-20)19-6-2-1-3-7-19/h1-3,6-11,14-15,17H,4-5,12-13H2
InChIKeyIGQQCUZOTXWWJQ-UHFFFAOYSA-N
XLogP4.03
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)-[(3S)-3-(1-pyridin-4-ylimidazol-4-yl)piperidin-1-yl]methanone
CID 175246374
(4-fluorophenyl)-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 110249296
(4-fluorophenyl)-[3-(4-fluorophenyl)piperidin-1-yl]methanone
CID 70334763
[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95818693
(4-fluorophenyl)-[(3S)-3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 95093694
(4-fluorophenyl)-[(3S)-3-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone
CID 95838773
(4-fluorophenyl)-[(3S)-3-(3-phenylsulfanyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 141269901
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-phenylmethanone
CID 25449307
(4-methylphenyl)-(3-pyridin-2-ylpiperidin-1-yl)methanone
CID 121451790
[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 110075948
[(3R)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 129453909

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[3-(1-phenylimidazol-4-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[3-(1-phenylimidazol-4-yl)piperidin-1-yl]methanone (CID 174501896) is (4-fluorophenyl)-[3-(1-phenylimidazol-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[3-(1-phenylimidazol-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[3-(1-phenylimidazol-4-yl)piperidin-1-yl]methanone is O=C(c1ccc(F)cc1)N1CCCC(c2cn(-c3ccccc3)cn2)C1.
What is the InChIKey of (4-fluorophenyl)-[3-(1-phenylimidazol-4-yl)piperidin-1-yl]methanone?
The InChIKey is IGQQCUZOTXWWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c22-18-10-8-16(9-11-18)21(26)24-12-4-5-17(13-24)20-14-25(15-23-20)19-6-2-1-3-7-19/h1-3,6-11,14-15,17H,4-5,12-13H2.
What are the key properties of (4-fluorophenyl)-[3-(1-phenylimidazol-4-yl)piperidin-1-yl]methanone?
(4-fluorophenyl)-[3-(1-phenylimidazol-4-yl)piperidin-1-yl]methanone has a molecular weight of 349.41 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[3-(1-phenylimidazol-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 174501896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).