1-(4-benzylpiperidin-1-yl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-one

C23H24FN3O2 — CID 110334025

IUPAC1-(4-benzylpiperidin-1-yl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-one
SMILESO=C(CCc1nnc(-c2ccc(F)cc2)o1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H24FN3O2/c24-20-8-6-19(7-9-20)23-26-25-21(29-23)10-11-22(28)27-14-12-18(13-15-27)16-17-4-2-1-3-5-17/h1-9,18H,10-16H2
InChIKeyJXCAKFISBGEEEW-UHFFFAOYSA-N
MW393.46 g/mol
LogP4.29
Rot. Bonds6

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

1-(4-benzylpiperidin-1-yl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-one (PubChem CID 110334025) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-one
PubChem CID110334025
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name1-(4-benzylpiperidin-1-yl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-one
SMILESO=C(CCc1nnc(-c2ccc(F)cc2)o1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H24FN3O2/c24-20-8-6-19(7-9-20)23-26-25-21(29-23)10-11-22(28)27-14-12-18(13-15-27)16-17-4-2-1-3-5-17/h1-9,18H,10-16H2
InChIKeyJXCAKFISBGEEEW-UHFFFAOYSA-N
XLogP4.29
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 110333959
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-piperidin-1-ylpropan-1-one
CID 110333957
1-(4-acetylpiperazin-1-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 51218726
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 51217103
4-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazine-1-carbaldehyde
CID 110333746
methyl 1-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-4-carboxylate
CID 51238602
N-benzyl-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110333973
3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3-oxazol-2-one
CID 53180493
phenyl-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone
CID 50846469
1-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one
CID 55891565
3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 110333834
1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one
CID 110289503

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-one?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-one (CID 110334025) is 1-(4-benzylpiperidin-1-yl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-one.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-one?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-one is O=C(CCc1nnc(-c2ccc(F)cc2)o1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-one?
The InChIKey is JXCAKFISBGEEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c24-20-8-6-19(7-9-20)23-26-25-21(29-23)10-11-22(28)27-14-12-18(13-15-27)16-17-4-2-1-3-5-17/h1-9,18H,10-16H2.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-one?
1-(4-benzylpiperidin-1-yl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-one has a molecular weight of 393.46 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-one is sourced from PubChem (CID 110334025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).