[1-(4-fluorophenyl)imidazol-4-yl]-(4-methylpiperidin-1-yl)methanone

C16H18FN3O — CID 100816402

IUPAC[1-(4-fluorophenyl)imidazol-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cn(-c3ccc(F)cc3)cn2)CC1
InChIInChI=1S/C16H18FN3O/c1-12-6-8-19(9-7-12)16(21)15-10-20(11-18-15)14-4-2-13(17)3-5-14/h2-5,10-12H,6-9H2,1H3
InChIKeyNJMVFQHPEWIYFL-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.88
Rot. Bonds2

About [1-(4-fluorophenyl)imidazol-4-yl]-(4-methylpiperidin-1-yl)methanone

[1-(4-fluorophenyl)imidazol-4-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 100816402) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is [1-(4-fluorophenyl)imidazol-4-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)imidazol-4-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID100816402
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name[1-(4-fluorophenyl)imidazol-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cn(-c3ccc(F)cc3)cn2)CC1
InChIInChI=1S/C16H18FN3O/c1-12-6-8-19(9-7-12)16(21)15-10-20(11-18-15)14-4-2-13(17)3-5-14/h2-5,10-12H,6-9H2,1H3
InChIKeyNJMVFQHPEWIYFL-UHFFFAOYSA-N
XLogP2.88
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-fluorophenyl)imidazol-4-yl]-piperidin-1-ylmethanone
CID 100816296
(4-ethylpiperazin-1-yl)-[1-(4-fluorophenyl)imidazol-4-yl]methanone
CID 100816398
[1-(4-fluorophenyl)imidazol-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 100819637
[6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364291
N,N-diethyl-1-(4-fluorophenyl)imidazole-4-carboxamide
CID 100824986
(7-fluoroquinolin-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 110485391
[4-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205101
[5-[2-(4-fluorophenyl)ethylamino]pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275036
(6-fluoroquinolin-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 110464452
(4-hydroxypiperidin-1-yl)-(1-methylimidazol-4-yl)methanone
CID 103817135
[2-(4-fluorophenyl)triazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 111435926
[4-(imidazol-1-ylmethyl)piperidin-1-yl]-(1-phenylimidazol-4-yl)methanone
CID 167920387

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)imidazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [1-(4-fluorophenyl)imidazol-4-yl]-(4-methylpiperidin-1-yl)methanone (CID 100816402) is [1-(4-fluorophenyl)imidazol-4-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(4-fluorophenyl)imidazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(4-fluorophenyl)imidazol-4-yl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cn(-c3ccc(F)cc3)cn2)CC1.
What is the InChIKey of [1-(4-fluorophenyl)imidazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is NJMVFQHPEWIYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-12-6-8-19(9-7-12)16(21)15-10-20(11-18-15)14-4-2-13(17)3-5-14/h2-5,10-12H,6-9H2,1H3.
What are the key properties of [1-(4-fluorophenyl)imidazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
[1-(4-fluorophenyl)imidazol-4-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 287.34 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)imidazol-4-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 100816402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).