3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-piperidin-1-ylpropan-1-one

C16H18FN3O2 — CID 110333957

IUPAC3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCc1nnc(-c2ccc(F)cc2)o1)N1CCCCC1
InChIInChI=1S/C16H18FN3O2/c17-13-6-4-12(5-7-13)16-19-18-14(22-16)8-9-15(21)20-10-2-1-3-11-20/h4-7H,1-3,8-11H2
InChIKeyBYPOIPNANSZSLN-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.82
Rot. Bonds4

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

3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-piperidin-1-ylpropan-1-one (PubChem CID 110333957) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-piperidin-1-ylpropan-1-one
PubChem CID110333957
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCc1nnc(-c2ccc(F)cc2)o1)N1CCCCC1
InChIInChI=1S/C16H18FN3O2/c17-13-6-4-12(5-7-13)16-19-18-14(22-16)8-9-15(21)20-10-2-1-3-11-20/h4-7H,1-3,8-11H2
InChIKeyBYPOIPNANSZSLN-UHFFFAOYSA-N
XLogP2.82
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azepan-1-yl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 110330551
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 110333959
1-(4-benzylpiperidin-1-yl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-one
CID 110334025
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 94556875
1-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one
CID 86924265
1-(4-acetylpiperazin-1-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 51218726
2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
CID 859932
4-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazine-1-carbaldehyde
CID 110333746
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 51217103
3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-morpholin-4-ylpropan-1-one
CID 110335021
methyl 1-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-4-carboxylate
CID 51238602
3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(3-methylpiperidin-1-yl)propan-1-one
CID 110334636

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-piperidin-1-ylpropan-1-one (CID 110333957) is 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-piperidin-1-ylpropan-1-one is O=C(CCc1nnc(-c2ccc(F)cc2)o1)N1CCCCC1.
What is the InChIKey of 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-piperidin-1-ylpropan-1-one?
The InChIKey is BYPOIPNANSZSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c17-13-6-4-12(5-7-13)16-19-18-14(22-16)8-9-15(21)20-10-2-1-3-11-20/h4-7H,1-3,8-11H2.
What are the key properties of 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-piperidin-1-ylpropan-1-one?
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-piperidin-1-ylpropan-1-one has a molecular weight of 303.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 110333957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).