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

C15H16FN3O — CID 100816296

IUPAC[1-(4-fluorophenyl)imidazol-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cn(-c2ccc(F)cc2)cn1)N1CCCCC1
InChIInChI=1S/C15H16FN3O/c16-12-4-6-13(7-5-12)19-10-14(17-11-19)15(20)18-8-2-1-3-9-18/h4-7,10-11H,1-3,8-9H2
InChIKeyQPMMSBGKYRKUSG-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.64
Rot. Bonds2

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

[1-(4-fluorophenyl)imidazol-4-yl]-piperidin-1-ylmethanone (PubChem CID 100816296) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is [1-(4-fluorophenyl)imidazol-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)imidazol-4-yl]-piperidin-1-ylmethanone
PubChem CID100816296
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name[1-(4-fluorophenyl)imidazol-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cn(-c2ccc(F)cc2)cn1)N1CCCCC1
InChIInChI=1S/C15H16FN3O/c16-12-4-6-13(7-5-12)19-10-14(17-11-19)15(20)18-8-2-1-3-9-18/h4-7,10-11H,1-3,8-9H2
InChIKeyQPMMSBGKYRKUSG-UHFFFAOYSA-N
XLogP2.64
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-fluorophenyl)imidazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 100816402
(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
[4-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204404
N,N-diethyl-1-(4-fluorophenyl)imidazole-4-carboxamide
CID 100824986
[1-(6-piperidin-1-ylpyrimidin-4-yl)imidazol-4-yl]-pyrrolidin-1-ylmethanone
CID 53171940
azepan-1-yl-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]methanone
CID 109352160
(1-methylimidazol-4-yl)-pyrrolidin-1-ylmethanone
CID 20703282
[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182563
[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111932
azepan-1-yl-[1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone
CID 53172126
[1-[(4-fluorophenoxy)methyl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone
CID 35326018

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)imidazol-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(4-fluorophenyl)imidazol-4-yl]-piperidin-1-ylmethanone (CID 100816296) is [1-(4-fluorophenyl)imidazol-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(4-fluorophenyl)imidazol-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(4-fluorophenyl)imidazol-4-yl]-piperidin-1-ylmethanone is O=C(c1cn(-c2ccc(F)cc2)cn1)N1CCCCC1.
What is the InChIKey of [1-(4-fluorophenyl)imidazol-4-yl]-piperidin-1-ylmethanone?
The InChIKey is QPMMSBGKYRKUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c16-12-4-6-13(7-5-12)19-10-14(17-11-19)15(20)18-8-2-1-3-9-18/h4-7,10-11H,1-3,8-9H2.
What are the key properties of [1-(4-fluorophenyl)imidazol-4-yl]-piperidin-1-ylmethanone?
[1-(4-fluorophenyl)imidazol-4-yl]-piperidin-1-ylmethanone has a molecular weight of 273.31 g/mol, XLogP of 2.64, 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]-piperidin-1-ylmethanone is sourced from PubChem (CID 100816296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).