5-fluoro-N-(4-fluorophenyl)-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide

C28H27F2N3O — CID 23876609

About 5-fluoro-N-(4-fluorophenyl)-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide

5-fluoro-N-(4-fluorophenyl)-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide (PubChem CID 23876609) has the molecular formula C28H27F2N3O and a molecular weight of 459.54 g/mol. Its IUPAC name is 5-fluoro-N-(4-fluorophenyl)-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide.

Molecular Properties

• Compound Name: 5-fluoro-N-(4-fluorophenyl)-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
• PubChem CID: 23876609
• Molecular Formula: C28H27F2N3O
• Molecular Weight: 459.54 g/mol
• Exact Mass: 459.21
• IUPAC Name: 5-fluoro-N-(4-fluorophenyl)-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
• SMILES: O=C(Nc1ccc(F)cc1)N1CC2(CCN(CC=Cc3ccccc3)CC2)c2cc(F)ccc21
• InChI: InChI=1S/C28H27F2N3O/c29-22-8-11-24(12-9-22)31-27(34)33-20-28(25-19-23(30)10-13-26(25)33)14-17-32(18-15-28)16-4-7-21-5-2-1-3-6-21/h1-13,19H,14-18,20H2,(H,31,34)
• InChIKey: ISIJAZOCXLCTIV-UHFFFAOYSA-N
• XLogP: 6.06
• TPSA: 35.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.54
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(4-fluorophenyl)-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?

The IUPAC name of 5-fluoro-N-(4-fluorophenyl)-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide (CID 23876609) is 5-fluoro-N-(4-fluorophenyl)-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide.

What is the SMILES notation for 5-fluoro-N-(4-fluorophenyl)-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?

The canonical SMILES for 5-fluoro-N-(4-fluorophenyl)-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide is O=C(Nc1ccc(F)cc1)N1CC2(CCN(CC=Cc3ccccc3)CC2)c2cc(F)ccc21.

What is the InChIKey of 5-fluoro-N-(4-fluorophenyl)-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?

The InChIKey is ISIJAZOCXLCTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F2N3O/c29-22-8-11-24(12-9-22)31-27(34)33-20-28(25-19-23(30)10-13-26(25)33)14-17-32(18-15-28)16-4-7-21-5-2-1-3-6-21/h1-13,19H,14-18,20H2,(H,31,34).

What are the key properties of 5-fluoro-N-(4-fluorophenyl)-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide?

5-fluoro-N-(4-fluorophenyl)-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide has a molecular weight of 459.54 g/mol, XLogP of 6.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-N-(4-fluorophenyl)-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 23876609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).