[2-(4-fluorophenyl)-1-[4-[(3-oxo-1H-isoindol-2-yl)methyl]piperidin-1-yl]propan-2-yl] propanoate

C26H31FN2O3 — CID 129062513

About [2-(4-fluorophenyl)-1-[4-[(3-oxo-1H-isoindol-2-yl)methyl]piperidin-1-yl]propan-2-yl] propanoate

[2-(4-fluorophenyl)-1-[4-[(3-oxo-1H-isoindol-2-yl)methyl]piperidin-1-yl]propan-2-yl] propanoate (PubChem CID 129062513) has the molecular formula C26H31FN2O3 and a molecular weight of 438.54 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-1-[4-[(3-oxo-1H-isoindol-2-yl)methyl]piperidin-1-yl]propan-2-yl] propanoate.

Molecular Properties

• Compound Name: [2-(4-fluorophenyl)-1-[4-[(3-oxo-1H-isoindol-2-yl)methyl]piperidin-1-yl]propan-2-yl] propanoate
• PubChem CID: 129062513
• Molecular Formula: C26H31FN2O3
• Molecular Weight: 438.54 g/mol
• Exact Mass: 438.23
• IUPAC Name: [2-(4-fluorophenyl)-1-[4-[(3-oxo-1H-isoindol-2-yl)methyl]piperidin-1-yl]propan-2-yl] propanoate
• SMILES: CCC(=O)OC(C)(CN1CCC(CN2Cc3ccccc3C2=O)CC1)c1ccc(F)cc1
• InChI: InChI=1S/C26H31FN2O3/c1-3-24(30)32-26(2,21-8-10-22(27)11-9-21)18-28-14-12-19(13-15-28)16-29-17-20-6-4-5-7-23(20)25(29)31/h4-11,19H,3,12-18H2,1-2H3
• InChIKey: RPUVLRFZIXJJEG-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 49.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.54
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-1-[4-[(3-oxo-1H-isoindol-2-yl)methyl]piperidin-1-yl]propan-2-yl] propanoate?

The IUPAC name of [2-(4-fluorophenyl)-1-[4-[(3-oxo-1H-isoindol-2-yl)methyl]piperidin-1-yl]propan-2-yl] propanoate (CID 129062513) is [2-(4-fluorophenyl)-1-[4-[(3-oxo-1H-isoindol-2-yl)methyl]piperidin-1-yl]propan-2-yl] propanoate.

What is the SMILES notation for [2-(4-fluorophenyl)-1-[4-[(3-oxo-1H-isoindol-2-yl)methyl]piperidin-1-yl]propan-2-yl] propanoate?

The canonical SMILES for [2-(4-fluorophenyl)-1-[4-[(3-oxo-1H-isoindol-2-yl)methyl]piperidin-1-yl]propan-2-yl] propanoate is CCC(=O)OC(C)(CN1CCC(CN2Cc3ccccc3C2=O)CC1)c1ccc(F)cc1.

What is the InChIKey of [2-(4-fluorophenyl)-1-[4-[(3-oxo-1H-isoindol-2-yl)methyl]piperidin-1-yl]propan-2-yl] propanoate?

The InChIKey is RPUVLRFZIXJJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN2O3/c1-3-24(30)32-26(2,21-8-10-22(27)11-9-21)18-28-14-12-19(13-15-28)16-29-17-20-6-4-5-7-23(20)25(29)31/h4-11,19H,3,12-18H2,1-2H3.

What are the key properties of [2-(4-fluorophenyl)-1-[4-[(3-oxo-1H-isoindol-2-yl)methyl]piperidin-1-yl]propan-2-yl] propanoate?

[2-(4-fluorophenyl)-1-[4-[(3-oxo-1H-isoindol-2-yl)methyl]piperidin-1-yl]propan-2-yl] propanoate has a molecular weight of 438.54 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(4-fluorophenyl)-1-[4-[(3-oxo-1H-isoindol-2-yl)methyl]piperidin-1-yl]propan-2-yl] propanoate is sourced from PubChem (CID 129062513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).