[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone

C18H22FN3O — CID 56868776

IUPAC[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
SMILESCn1cncc1C(=O)N1CCCC(CCc2ccc(F)cc2)C1
InChIInChI=1S/C18H22FN3O/c1-21-13-20-11-17(21)18(23)22-10-2-3-15(12-22)5-4-14-6-8-16(19)9-7-14/h6-9,11,13,15H,2-5,10,12H2,1H3
InChIKeyNLXQCAALFXQGTO-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.04
Rot. Bonds4

About [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone

[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone (PubChem CID 56868776) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
PubChem CID56868776
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
SMILESCn1cncc1C(=O)N1CCCC(CCc2ccc(F)cc2)C1
InChIInChI=1S/C18H22FN3O/c1-21-13-20-11-17(21)18(23)22-10-2-3-15(12-22)5-4-14-6-8-16(19)9-7-14/h6-9,11,13,15H,2-5,10,12H2,1H3
InChIKeyNLXQCAALFXQGTO-UHFFFAOYSA-N
XLogP3.04
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 56874856
[3-(2-bromoethyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103512097
(3-methylimidazol-4-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 56867190
[3-(aminomethyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103510238
[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 56879699
[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95532367
[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 95401226
[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone
CID 95554892
[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 95550139
(2,6-difluorophenyl)-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 95550749
(2,4-dimethylpyrimidin-5-yl)-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 56864739
[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 95556318

Frequently Asked Questions

What is the IUPAC name of [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone?
The IUPAC name of [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone (CID 56868776) is [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone.
What is the SMILES notation for [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone?
The canonical SMILES for [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone is Cn1cncc1C(=O)N1CCCC(CCc2ccc(F)cc2)C1.
What is the InChIKey of [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone?
The InChIKey is NLXQCAALFXQGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-21-13-20-11-17(21)18(23)22-10-2-3-15(12-22)5-4-14-6-8-16(19)9-7-14/h6-9,11,13,15H,2-5,10,12H2,1H3.
What are the key properties of [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone?
[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone has a molecular weight of 315.39 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone is sourced from PubChem (CID 56868776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).