[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-(3-methylpiperidin-1-yl)methanone

C15H16FN3O2 — CID 110392676

IUPAC[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2nnc(-c3ccc(F)cc3)o2)C1
InChIInChI=1S/C15H16FN3O2/c1-10-3-2-8-19(9-10)15(20)14-18-17-13(21-14)11-4-6-12(16)7-5-11/h4-7,10H,2-3,8-9H2,1H3
InChIKeyXWDCOJOSKRPPNC-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.75
Rot. Bonds2

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

[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 110392676) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID110392676
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2nnc(-c3ccc(F)cc3)o2)C1
InChIInChI=1S/C15H16FN3O2/c1-10-3-2-8-19(9-10)15(20)14-18-17-13(21-14)11-4-6-12(16)7-5-11/h4-7,10H,2-3,8-9H2,1H3
InChIKeyXWDCOJOSKRPPNC-UHFFFAOYSA-N
XLogP2.75
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carbonyl]piperazin-1-yl]ethanone
CID 110392615
[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 110391727
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 121069334
(4-fluorophenyl)-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 132654703
ethyl 4-[5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carbonyl]piperazine-1-carboxylate
CID 110392654
(3,4-dimethoxyphenyl)-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 121069346
azetidin-1-yl-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 123489752
[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 121069339
1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 121069321
(5-phenyl-1,3,4-oxadiazol-2-yl)-pyrrolidin-1-ylmethanone
CID 110390874
[6-(4-fluorophenyl)-2-methyl-3-pyridinyl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 124938472

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-(3-methylpiperidin-1-yl)methanone (CID 110392676) is [5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2nnc(-c3ccc(F)cc3)o2)C1.
What is the InChIKey of [5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is XWDCOJOSKRPPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-10-3-2-8-19(9-10)15(20)14-18-17-13(21-14)11-4-6-12(16)7-5-11/h4-7,10H,2-3,8-9H2,1H3.
What are the key properties of [5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-(3-methylpiperidin-1-yl)methanone?
[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 289.31 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 110392676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).