3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3-oxazol-2-one

C23H23FN2O3 — CID 53180493

IUPAC3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3-oxazol-2-one
SMILESO=C(Cn1cc(-c2ccc(F)cc2)oc1=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H23FN2O3/c24-20-8-6-19(7-9-20)21-15-26(23(28)29-21)16-22(27)25-12-10-18(11-13-25)14-17-4-2-1-3-5-17/h1-9,15,18H,10-14,16H2
InChIKeyZJPXVXZWYRPNDM-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.73
Rot. Bonds5

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

3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3-oxazol-2-one (PubChem CID 53180493) has the molecular formula C23H23FN2O3 and a molecular weight of 394.45 g/mol. Its IUPAC name is 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3-oxazol-2-one.

Molecular Properties

Compound Name3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3-oxazol-2-one
PubChem CID53180493
Molecular FormulaC23H23FN2O3
Molecular Weight394.45 g/mol
Exact Mass394.17
IUPAC Name3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3-oxazol-2-one
SMILESO=C(Cn1cc(-c2ccc(F)cc2)oc1=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H23FN2O3/c24-20-8-6-19(7-9-20)21-15-26(23(28)29-21)16-22(27)25-12-10-18(11-13-25)14-17-4-2-1-3-5-17/h1-9,15,18H,10-14,16H2
InChIKeyZJPXVXZWYRPNDM-UHFFFAOYSA-N
XLogP3.73
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3-oxazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-benzylpiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 653752
1-(4-benzylpiperidin-1-yl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-one
CID 110334025
1-(4-benzylpiperidin-1-yl)-2-[(4-fluorophenyl)methylamino]ethanone
CID 108997744
3-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-3-oxopropanamide
CID 108946418
1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one
CID 110289503
2-phenyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]ethanone
CID 24720516
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 2362965
3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione
CID 5182758
1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-nitropyridin-2-one
CID 7467861
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluorophenyl)methanesulfonamide
CID 1143321
1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 56822661
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3-oxazol-2-one?
The IUPAC name of 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3-oxazol-2-one (CID 53180493) is 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3-oxazol-2-one.
What is the SMILES notation for 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3-oxazol-2-one?
The canonical SMILES for 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3-oxazol-2-one is O=C(Cn1cc(-c2ccc(F)cc2)oc1=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3-oxazol-2-one?
The InChIKey is ZJPXVXZWYRPNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3/c24-20-8-6-19(7-9-20)21-15-26(23(28)29-21)16-22(27)25-12-10-18(11-13-25)14-17-4-2-1-3-5-17/h1-9,15,18H,10-14,16H2.
What are the key properties of 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3-oxazol-2-one?
3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3-oxazol-2-one has a molecular weight of 394.45 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3-oxazol-2-one is sourced from PubChem (CID 53180493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).