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

C16H18FN3O2 — CID 86286468

IUPAC1-[2-(4-fluorophenyl)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
SMILESCc1nonc1CC(=O)N1CCCCC1c1ccc(F)cc1
InChIInChI=1S/C16H18FN3O2/c1-11-14(19-22-18-11)10-16(21)20-9-3-2-4-15(20)12-5-7-13(17)8-6-12/h5-8,15H,2-4,9-10H2,1H3
InChIKeyXRIQZXJRYXWICX-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.81
Rot. Bonds3

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

1-[2-(4-fluorophenyl)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone (PubChem CID 86286468) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
PubChem CID86286468
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name1-[2-(4-fluorophenyl)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
SMILESCc1nonc1CC(=O)N1CCCCC1c1ccc(F)cc1
InChIInChI=1S/C16H18FN3O2/c1-11-14(19-22-18-11)10-16(21)20-9-3-2-4-15(20)12-5-7-13(17)8-6-12/h5-8,15H,2-4,9-10H2,1H3
InChIKeyXRIQZXJRYXWICX-UHFFFAOYSA-N
XLogP2.81
TPSA59.23 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 ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone?
The IUPAC name of 1-[2-(4-fluorophenyl)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone (CID 86286468) is 1-[2-(4-fluorophenyl)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone.
What is the SMILES notation for 1-[2-(4-fluorophenyl)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone?
The canonical SMILES for 1-[2-(4-fluorophenyl)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone is Cc1nonc1CC(=O)N1CCCCC1c1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone?
The InChIKey is XRIQZXJRYXWICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-11-14(19-22-18-11)10-16(21)20-9-3-2-4-15(20)12-5-7-13(17)8-6-12/h5-8,15H,2-4,9-10H2,1H3.
What are the key properties of 1-[2-(4-fluorophenyl)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone?
1-[2-(4-fluorophenyl)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone has a molecular weight of 303.34 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone is sourced from PubChem (CID 86286468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).