[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone

C17H20FN3O2 — CID 56875017

IUPAC[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone
SMILESCc1nonc1C(=O)N1CCCC(CCc2ccc(F)cc2)C1
InChIInChI=1S/C17H20FN3O2/c1-12-16(20-23-19-12)17(22)21-10-2-3-14(11-21)5-4-13-6-8-15(18)9-7-13/h6-9,14H,2-5,10-11H2,1H3
InChIKeyPBAYZAALHLWPSI-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.00
Rot. Bonds4

About [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone

[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone (PubChem CID 56875017) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone
PubChem CID56875017
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone
SMILESCc1nonc1C(=O)N1CCCC(CCc2ccc(F)cc2)C1
InChIInChI=1S/C17H20FN3O2/c1-12-16(20-23-19-12)17(22)21-10-2-3-14(11-21)5-4-13-6-8-15(18)9-7-13/h6-9,14H,2-5,10-11H2,1H3
InChIKeyPBAYZAALHLWPSI-UHFFFAOYSA-N
XLogP3.00
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone?
The IUPAC name of [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone (CID 56875017) is [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone.
What is the SMILES notation for [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone?
The canonical SMILES for [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone is Cc1nonc1C(=O)N1CCCC(CCc2ccc(F)cc2)C1.
What is the InChIKey of [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone?
The InChIKey is PBAYZAALHLWPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-12-16(20-23-19-12)17(22)21-10-2-3-14(11-21)5-4-13-6-8-15(18)9-7-13/h6-9,14H,2-5,10-11H2,1H3.
What are the key properties of [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone?
[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone has a molecular weight of 317.36 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone is sourced from PubChem (CID 56875017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).