[4-[6,7-difluoro-3-(4-fluorophenyl)-2-oxo-1H-indol-3-yl]phenyl] 3-piperidin-1-ylpropanoate

C28H25F3N2O3 — CID 59177314

IUPAC[4-[6,7-difluoro-3-(4-fluorophenyl)-2-oxo-1H-indol-3-yl]phenyl] 3-piperidin-1-ylpropanoate
SMILESO=C(CCN1CCCCC1)Oc1ccc(C2(c3ccc(F)cc3)C(=O)Nc3c2ccc(F)c3F)cc1
InChIInChI=1S/C28H25F3N2O3/c29-20-8-4-18(5-9-20)28(22-12-13-23(30)25(31)26(22)32-27(28)35)19-6-10-21(11-7-19)36-24(34)14-17-33-15-2-1-3-16-33/h4-13H,1-3,14-17H2,(H,32,35)
InChIKeyOBVQKUJXGDVIGI-UHFFFAOYSA-N
MW494.51 g/mol
LogP5.17
Rot. Bonds6

About [4-[6,7-difluoro-3-(4-fluorophenyl)-2-oxo-1H-indol-3-yl]phenyl] 3-piperidin-1-ylpropanoate

[4-[6,7-difluoro-3-(4-fluorophenyl)-2-oxo-1H-indol-3-yl]phenyl] 3-piperidin-1-ylpropanoate (PubChem CID 59177314) has the molecular formula C28H25F3N2O3 and a molecular weight of 494.51 g/mol. Its IUPAC name is [4-[6,7-difluoro-3-(4-fluorophenyl)-2-oxo-1H-indol-3-yl]phenyl] 3-piperidin-1-ylpropanoate.

Molecular Properties

Compound Name[4-[6,7-difluoro-3-(4-fluorophenyl)-2-oxo-1H-indol-3-yl]phenyl] 3-piperidin-1-ylpropanoate
PubChem CID59177314
Molecular FormulaC28H25F3N2O3
Molecular Weight494.51 g/mol
Exact Mass494.18
IUPAC Name[4-[6,7-difluoro-3-(4-fluorophenyl)-2-oxo-1H-indol-3-yl]phenyl] 3-piperidin-1-ylpropanoate
SMILESO=C(CCN1CCCCC1)Oc1ccc(C2(c3ccc(F)cc3)C(=O)Nc3c2ccc(F)c3F)cc1
InChIInChI=1S/C28H25F3N2O3/c29-20-8-4-18(5-9-20)28(22-12-13-23(30)25(31)26(22)32-27(28)35)19-6-10-21(11-7-19)36-24(34)14-17-33-15-2-1-3-16-33/h4-13H,1-3,14-17H2,(H,32,35)
InChIKeyOBVQKUJXGDVIGI-UHFFFAOYSA-N
XLogP5.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.51
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-[6,7-difluoro-3-(4-fluorophenyl)-2-oxo-1H-indol-3-yl]phenyl] 3-piperidin-1-ylpropanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[6,7-difluoro-3-(4-fluorophenyl)-2-oxo-1H-indol-3-yl]phenyl] 3-piperidin-1-ylpropanoate?
The IUPAC name of [4-[6,7-difluoro-3-(4-fluorophenyl)-2-oxo-1H-indol-3-yl]phenyl] 3-piperidin-1-ylpropanoate (CID 59177314) is [4-[6,7-difluoro-3-(4-fluorophenyl)-2-oxo-1H-indol-3-yl]phenyl] 3-piperidin-1-ylpropanoate.
What is the SMILES notation for [4-[6,7-difluoro-3-(4-fluorophenyl)-2-oxo-1H-indol-3-yl]phenyl] 3-piperidin-1-ylpropanoate?
The canonical SMILES for [4-[6,7-difluoro-3-(4-fluorophenyl)-2-oxo-1H-indol-3-yl]phenyl] 3-piperidin-1-ylpropanoate is O=C(CCN1CCCCC1)Oc1ccc(C2(c3ccc(F)cc3)C(=O)Nc3c2ccc(F)c3F)cc1.
What is the InChIKey of [4-[6,7-difluoro-3-(4-fluorophenyl)-2-oxo-1H-indol-3-yl]phenyl] 3-piperidin-1-ylpropanoate?
The InChIKey is OBVQKUJXGDVIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F3N2O3/c29-20-8-4-18(5-9-20)28(22-12-13-23(30)25(31)26(22)32-27(28)35)19-6-10-21(11-7-19)36-24(34)14-17-33-15-2-1-3-16-33/h4-13H,1-3,14-17H2,(H,32,35).
What are the key properties of [4-[6,7-difluoro-3-(4-fluorophenyl)-2-oxo-1H-indol-3-yl]phenyl] 3-piperidin-1-ylpropanoate?
[4-[6,7-difluoro-3-(4-fluorophenyl)-2-oxo-1H-indol-3-yl]phenyl] 3-piperidin-1-ylpropanoate has a molecular weight of 494.51 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6,7-difluoro-3-(4-fluorophenyl)-2-oxo-1H-indol-3-yl]phenyl] 3-piperidin-1-ylpropanoate is sourced from PubChem (CID 59177314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).