2-acetyl-N-(2-fluorophenyl)-7-methoxy-1,1-dimethylspiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydroindeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide

C28H40FN3O3 — CID 144769506

About 2-acetyl-N-(2-fluorophenyl)-7-methoxy-1,1-dimethylspiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydroindeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide

2-acetyl-N-(2-fluorophenyl)-7-methoxy-1,1-dimethylspiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydroindeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide (PubChem CID 144769506) has the molecular formula C28H40FN3O3 and a molecular weight of 485.64 g/mol. Its IUPAC name is 2-acetyl-N-(2-fluorophenyl)-7-methoxy-1,1-dimethylspiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydroindeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide.

Molecular Properties

• Compound Name: 2-acetyl-N-(2-fluorophenyl)-7-methoxy-1,1-dimethylspiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydroindeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide
• PubChem CID: 144769506
• Molecular Formula: C28H40FN3O3
• Molecular Weight: 485.64 g/mol
• Exact Mass: 485.31
• IUPAC Name: 2-acetyl-N-(2-fluorophenyl)-7-methoxy-1,1-dimethylspiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydroindeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide
• SMILES: COC1CCC2C(C1)CC1C2C2(CCN(C(=O)Nc3ccccc3F)CC2)CN(C(C)=O)C1(C)C
• InChI: InChI=1S/C28H40FN3O3/c1-18(33)32-17-28(11-13-31(14-12-28)26(34)30-24-8-6-5-7-23(24)29)25-21-10-9-20(35-4)15-19(21)16-22(25)27(32,2)3/h5-8,19-22,25H,9-17H2,1-4H3,(H,30,34)
• InChIKey: YFOJLMMLRKKSEH-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.64
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-N-(2-fluorophenyl)-7-methoxy-1,1-dimethylspiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydroindeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide?

The IUPAC name of 2-acetyl-N-(2-fluorophenyl)-7-methoxy-1,1-dimethylspiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydroindeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide (CID 144769506) is 2-acetyl-N-(2-fluorophenyl)-7-methoxy-1,1-dimethylspiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydroindeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide.

What is the SMILES notation for 2-acetyl-N-(2-fluorophenyl)-7-methoxy-1,1-dimethylspiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydroindeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide?

The canonical SMILES for 2-acetyl-N-(2-fluorophenyl)-7-methoxy-1,1-dimethylspiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydroindeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide is COC1CCC2C(C1)CC1C2C2(CCN(C(=O)Nc3ccccc3F)CC2)CN(C(C)=O)C1(C)C.

What is the InChIKey of 2-acetyl-N-(2-fluorophenyl)-7-methoxy-1,1-dimethylspiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydroindeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide?

The InChIKey is YFOJLMMLRKKSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40FN3O3/c1-18(33)32-17-28(11-13-31(14-12-28)26(34)30-24-8-6-5-7-23(24)29)25-21-10-9-20(35-4)15-19(21)16-22(25)27(32,2)3/h5-8,19-22,25H,9-17H2,1-4H3,(H,30,34).

What are the key properties of 2-acetyl-N-(2-fluorophenyl)-7-methoxy-1,1-dimethylspiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydroindeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide?

2-acetyl-N-(2-fluorophenyl)-7-methoxy-1,1-dimethylspiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydroindeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide has a molecular weight of 485.64 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-acetyl-N-(2-fluorophenyl)-7-methoxy-1,1-dimethylspiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydroindeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 144769506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).