1'-(cyclopropylmethyl)-5-fluoro-N-(3-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide

C24H28FN3O2 — CID 59004167

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

1'-(cyclopropylmethyl)-5-fluoro-N-(3-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide (PubChem CID 59004167) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is 1'-(cyclopropylmethyl)-5-fluoro-N-(3-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide.

Molecular Properties

• Compound Name: 1'-(cyclopropylmethyl)-5-fluoro-N-(3-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
• PubChem CID: 59004167
• Molecular Formula: C24H28FN3O2
• Molecular Weight: 409.51 g/mol
• Exact Mass: 409.22
• IUPAC Name: 1'-(cyclopropylmethyl)-5-fluoro-N-(3-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
• SMILES: COc1cccc(NC(=O)N2CC3(CCN(CC4CC4)CC3)c3cc(F)ccc32)c1
• InChI: InChI=1S/C24H28FN3O2/c1-30-20-4-2-3-19(14-20)26-23(29)28-16-24(21-13-18(25)7-8-22(21)28)9-11-27(12-10-24)15-17-5-6-17/h2-4,7-8,13-14,17H,5-6,9-12,15-16H2,1H3,(H,26,29)
• InChIKey: OYSLRWRXFSZSJA-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 44.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.51
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 1'-(cyclopropylmethyl)-5-fluoro-N-(3-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide (CID 59004167) is 1'-(cyclopropylmethyl)-5-fluoro-N-(3-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide.

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

The canonical SMILES for 1'-(cyclopropylmethyl)-5-fluoro-N-(3-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide is COc1cccc(NC(=O)N2CC3(CCN(CC4CC4)CC3)c3cc(F)ccc32)c1.

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

The InChIKey is OYSLRWRXFSZSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2/c1-30-20-4-2-3-19(14-20)26-23(29)28-16-24(21-13-18(25)7-8-22(21)28)9-11-27(12-10-24)15-17-5-6-17/h2-4,7-8,13-14,17H,5-6,9-12,15-16H2,1H3,(H,26,29).

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

1'-(cyclopropylmethyl)-5-fluoro-N-(3-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide has a molecular weight of 409.51 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-(cyclopropylmethyl)-5-fluoro-N-(3-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 59004167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).