[4-(3-fluorophenoxy)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone

C16H18FN3O2 — CID 118773090

IUPAC[4-(3-fluorophenoxy)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
SMILESCn1cncc1C(=O)N1CCC(Oc2cccc(F)c2)CC1
InChIInChI=1S/C16H18FN3O2/c1-19-11-18-10-15(19)16(21)20-7-5-13(6-8-20)22-14-4-2-3-12(17)9-14/h2-4,9-11,13H,5-8H2,1H3
InChIKeyWASSHPVKHIZBHA-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.24
Rot. Bonds3

About [4-(3-fluorophenoxy)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone

[4-(3-fluorophenoxy)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone (PubChem CID 118773090) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is [4-(3-fluorophenoxy)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(3-fluorophenoxy)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
PubChem CID118773090
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name[4-(3-fluorophenoxy)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
SMILESCn1cncc1C(=O)N1CCC(Oc2cccc(F)c2)CC1
InChIInChI=1S/C16H18FN3O2/c1-19-11-18-10-15(19)16(21)20-7-5-13(6-8-20)22-14-4-2-3-12(17)9-14/h2-4,9-11,13H,5-8H2,1H3
InChIKeyWASSHPVKHIZBHA-UHFFFAOYSA-N
XLogP2.24
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 9267164
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CID 4808157
CID 4808157
CID 44425975
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CID 45272936
CID 45272936
CID 45272939
CID 45272939
CID 134137094
CID 134137094
CID 162657867
CID 162657867
CID 166630448
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CID 664195
CID 664195

Frequently Asked Questions

What is the IUPAC name of [4-(3-fluorophenoxy)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone?
The IUPAC name of [4-(3-fluorophenoxy)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone (CID 118773090) is [4-(3-fluorophenoxy)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone.
What is the SMILES notation for [4-(3-fluorophenoxy)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone?
The canonical SMILES for [4-(3-fluorophenoxy)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone is Cn1cncc1C(=O)N1CCC(Oc2cccc(F)c2)CC1.
What is the InChIKey of [4-(3-fluorophenoxy)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone?
The InChIKey is WASSHPVKHIZBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-19-11-18-10-15(19)16(21)20-7-5-13(6-8-20)22-14-4-2-3-12(17)9-14/h2-4,9-11,13H,5-8H2,1H3.
What are the key properties of [4-(3-fluorophenoxy)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone?
[4-(3-fluorophenoxy)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone has a molecular weight of 303.34 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluorophenoxy)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone is sourced from PubChem (CID 118773090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).