(1R)-2-acetyl-N-(2-fluorophenyl)-7-methoxy-1-(2-methoxyethoxymethoxymethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide

C31H46FN3O6 — CID 146899636

About (1R)-2-acetyl-N-(2-fluorophenyl)-7-methoxy-1-(2-methoxyethoxymethoxymethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide

(1R)-2-acetyl-N-(2-fluorophenyl)-7-methoxy-1-(2-methoxyethoxymethoxymethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide (PubChem CID 146899636) has the molecular formula C31H46FN3O6 and a molecular weight of 575.72 g/mol. Its IUPAC name is (1R)-2-acetyl-N-(2-fluorophenyl)-7-methoxy-1-(2-methoxyethoxymethoxymethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide.

Molecular Properties

• Compound Name: (1R)-2-acetyl-N-(2-fluorophenyl)-7-methoxy-1-(2-methoxyethoxymethoxymethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide
• PubChem CID: 146899636
• Molecular Formula: C31H46FN3O6
• Molecular Weight: 575.72 g/mol
• Exact Mass: 575.34
• IUPAC Name: (1R)-2-acetyl-N-(2-fluorophenyl)-7-methoxy-1-(2-methoxyethoxymethoxymethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide
• SMILES: COCCOCOC[C@H]1C2CC3CC(OC)CCC3C2C2(CCN(C(=O)Nc3ccccc3F)CC2)CN1C(C)=O
• InChI: InChI=1S/C31H46FN3O6/c1-21(36)35-19-31(10-12-34(13-11-31)30(37)33-27-7-5-4-6-26(27)32)29-24-9-8-23(39-3)16-22(24)17-25(29)28(35)18-41-20-40-15-14-38-2/h4-7,22-25,28-29H,8-20H2,1-3H3,(H,33,37)/t22?,23?,24?,25?,28-,29?/m0/s1
• InChIKey: MEINSZWCVCZLRT-QQORLLPDSA-N
• XLogP: 4.38
• TPSA: 89.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.72
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of (1R)-2-acetyl-N-(2-fluorophenyl)-7-methoxy-1-(2-methoxyethoxymethoxymethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide (CID 146899636) is (1R)-2-acetyl-N-(2-fluorophenyl)-7-methoxy-1-(2-methoxyethoxymethoxymethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide.

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

The canonical SMILES for (1R)-2-acetyl-N-(2-fluorophenyl)-7-methoxy-1-(2-methoxyethoxymethoxymethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide is COCCOCOC[C@H]1C2CC3CC(OC)CCC3C2C2(CCN(C(=O)Nc3ccccc3F)CC2)CN1C(C)=O.

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

The InChIKey is MEINSZWCVCZLRT-QQORLLPDSA-N. The full InChI is InChI=1S/C31H46FN3O6/c1-21(36)35-19-31(10-12-34(13-11-31)30(37)33-27-7-5-4-6-26(27)32)29-24-9-8-23(39-3)16-22(24)17-25(29)28(35)18-41-20-40-15-14-38-2/h4-7,22-25,28-29H,8-20H2,1-3H3,(H,33,37)/t22?,23?,24?,25?,28-,29?/m0/s1.

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

(1R)-2-acetyl-N-(2-fluorophenyl)-7-methoxy-1-(2-methoxyethoxymethoxymethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide has a molecular weight of 575.72 g/mol, XLogP of 4.38, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-2-acetyl-N-(2-fluorophenyl)-7-methoxy-1-(2-methoxyethoxymethoxymethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 146899636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).