3-(2-ethylimidazol-1-yl)-1-[2-(4-fluorophenyl)piperidin-1-yl]propan-1-one

C19H24FN3O — CID 70721497

IUPAC3-(2-ethylimidazol-1-yl)-1-[2-(4-fluorophenyl)piperidin-1-yl]propan-1-one
SMILESCCc1nccn1CCC(=O)N1CCCCC1c1ccc(F)cc1
InChIInChI=1S/C19H24FN3O/c1-2-18-21-11-14-22(18)13-10-19(24)23-12-4-3-5-17(23)15-6-8-16(20)9-7-15/h6-9,11,14,17H,2-5,10,12-13H2,1H3
InChIKeyJSOOUJXZQFZIOV-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.73
Rot. Bonds5

About 3-(2-ethylimidazol-1-yl)-1-[2-(4-fluorophenyl)piperidin-1-yl]propan-1-one

3-(2-ethylimidazol-1-yl)-1-[2-(4-fluorophenyl)piperidin-1-yl]propan-1-one (PubChem CID 70721497) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is 3-(2-ethylimidazol-1-yl)-1-[2-(4-fluorophenyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-ethylimidazol-1-yl)-1-[2-(4-fluorophenyl)piperidin-1-yl]propan-1-one
PubChem CID70721497
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name3-(2-ethylimidazol-1-yl)-1-[2-(4-fluorophenyl)piperidin-1-yl]propan-1-one
SMILESCCc1nccn1CCC(=O)N1CCCCC1c1ccc(F)cc1
InChIInChI=1S/C19H24FN3O/c1-2-18-21-11-14-22(18)13-10-19(24)23-12-4-3-5-17(23)15-6-8-16(20)9-7-15/h6-9,11,14,17H,2-5,10,12-13H2,1H3
InChIKeyJSOOUJXZQFZIOV-UHFFFAOYSA-N
XLogP3.73
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethylimidazol-1-yl)-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 110105596
1-[(2R)-2-[2-[(dimethylamino)methyl]-4-pyridinyl]pyrrolidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one
CID 125025402
3-(2-ethylimidazol-1-yl)-1-[(2S)-2-phenylpiperazin-1-yl]propan-1-one
CID 124954504
3-(2-ethylimidazol-1-yl)-1-[2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 110109410
1-[(4aR,9aS)-2,3,4,4a,5,6,7,8,9,9a-decahydropyrido[3,2-b]azepin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one
CID 110124689
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]butan-1-one
CID 51075833
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 77090927
1-[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone
CID 110266395
2-(2-ethylimidazol-1-yl)-1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone
CID 125020032
2-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]ethanone;hydrochloride
CID 119338691
3-(2-ethylimidazol-1-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one
CID 125006153
3-(2-ethylimidazol-1-yl)-1-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one
CID 125006152

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylimidazol-1-yl)-1-[2-(4-fluorophenyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(2-ethylimidazol-1-yl)-1-[2-(4-fluorophenyl)piperidin-1-yl]propan-1-one (CID 70721497) is 3-(2-ethylimidazol-1-yl)-1-[2-(4-fluorophenyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-ethylimidazol-1-yl)-1-[2-(4-fluorophenyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-ethylimidazol-1-yl)-1-[2-(4-fluorophenyl)piperidin-1-yl]propan-1-one is CCc1nccn1CCC(=O)N1CCCCC1c1ccc(F)cc1.
What is the InChIKey of 3-(2-ethylimidazol-1-yl)-1-[2-(4-fluorophenyl)piperidin-1-yl]propan-1-one?
The InChIKey is JSOOUJXZQFZIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-2-18-21-11-14-22(18)13-10-19(24)23-12-4-3-5-17(23)15-6-8-16(20)9-7-15/h6-9,11,14,17H,2-5,10,12-13H2,1H3.
What are the key properties of 3-(2-ethylimidazol-1-yl)-1-[2-(4-fluorophenyl)piperidin-1-yl]propan-1-one?
3-(2-ethylimidazol-1-yl)-1-[2-(4-fluorophenyl)piperidin-1-yl]propan-1-one has a molecular weight of 329.42 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylimidazol-1-yl)-1-[2-(4-fluorophenyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 70721497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).