4-[2-(4-fluorophenyl)acetyl]-1-methyl-3-[(3-pyridin-4-ylphenyl)methyl]piperazin-2-one

C25H24FN3O2 — CID 110088259

IUPAC4-[2-(4-fluorophenyl)acetyl]-1-methyl-3-[(3-pyridin-4-ylphenyl)methyl]piperazin-2-one
SMILESCN1CCN(C(=O)Cc2ccc(F)cc2)C(Cc2cccc(-c3ccncc3)c2)C1=O
InChIInChI=1S/C25H24FN3O2/c1-28-13-14-29(24(30)17-18-5-7-22(26)8-6-18)23(25(28)31)16-19-3-2-4-21(15-19)20-9-11-27-12-10-20/h2-12,15,23H,13-14,16-17H2,1H3
InChIKeyUIUVDYZKYSPMMO-UHFFFAOYSA-N
MW417.48 g/mol
LogP3.34
Rot. Bonds5

About 4-[2-(4-fluorophenyl)acetyl]-1-methyl-3-[(3-pyridin-4-ylphenyl)methyl]piperazin-2-one

4-[2-(4-fluorophenyl)acetyl]-1-methyl-3-[(3-pyridin-4-ylphenyl)methyl]piperazin-2-one (PubChem CID 110088259) has the molecular formula C25H24FN3O2 and a molecular weight of 417.48 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)acetyl]-1-methyl-3-[(3-pyridin-4-ylphenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)acetyl]-1-methyl-3-[(3-pyridin-4-ylphenyl)methyl]piperazin-2-one
PubChem CID110088259
Molecular FormulaC25H24FN3O2
Molecular Weight417.48 g/mol
Exact Mass417.19
IUPAC Name4-[2-(4-fluorophenyl)acetyl]-1-methyl-3-[(3-pyridin-4-ylphenyl)methyl]piperazin-2-one
SMILESCN1CCN(C(=O)Cc2ccc(F)cc2)C(Cc2cccc(-c3ccncc3)c2)C1=O
InChIInChI=1S/C25H24FN3O2/c1-28-13-14-29(24(30)17-18-5-7-22(26)8-6-18)23(25(28)31)16-19-3-2-4-21(15-19)20-9-11-27-12-10-20/h2-12,15,23H,13-14,16-17H2,1H3
InChIKeyUIUVDYZKYSPMMO-UHFFFAOYSA-N
XLogP3.34
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)acetyl]-1-methyl-3-[(3-pyridin-4-ylphenyl)methyl]piperazin-2-one?
The IUPAC name of 4-[2-(4-fluorophenyl)acetyl]-1-methyl-3-[(3-pyridin-4-ylphenyl)methyl]piperazin-2-one (CID 110088259) is 4-[2-(4-fluorophenyl)acetyl]-1-methyl-3-[(3-pyridin-4-ylphenyl)methyl]piperazin-2-one.
What is the SMILES notation for 4-[2-(4-fluorophenyl)acetyl]-1-methyl-3-[(3-pyridin-4-ylphenyl)methyl]piperazin-2-one?
The canonical SMILES for 4-[2-(4-fluorophenyl)acetyl]-1-methyl-3-[(3-pyridin-4-ylphenyl)methyl]piperazin-2-one is CN1CCN(C(=O)Cc2ccc(F)cc2)C(Cc2cccc(-c3ccncc3)c2)C1=O.
What is the InChIKey of 4-[2-(4-fluorophenyl)acetyl]-1-methyl-3-[(3-pyridin-4-ylphenyl)methyl]piperazin-2-one?
The InChIKey is UIUVDYZKYSPMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O2/c1-28-13-14-29(24(30)17-18-5-7-22(26)8-6-18)23(25(28)31)16-19-3-2-4-21(15-19)20-9-11-27-12-10-20/h2-12,15,23H,13-14,16-17H2,1H3.
What are the key properties of 4-[2-(4-fluorophenyl)acetyl]-1-methyl-3-[(3-pyridin-4-ylphenyl)methyl]piperazin-2-one?
4-[2-(4-fluorophenyl)acetyl]-1-methyl-3-[(3-pyridin-4-ylphenyl)methyl]piperazin-2-one has a molecular weight of 417.48 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)acetyl]-1-methyl-3-[(3-pyridin-4-ylphenyl)methyl]piperazin-2-one is sourced from PubChem (CID 110088259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).