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

C28H41FN4O3 — CID 146899592

About (1R)-2-acetyl-N-(2-fluorophenyl)-7-methoxy-1-(methylaminomethyl)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-(methylaminomethyl)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 146899592) has the molecular formula C28H41FN4O3 and a molecular weight of 500.66 g/mol. Its IUPAC name is (1R)-2-acetyl-N-(2-fluorophenyl)-7-methoxy-1-(methylaminomethyl)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-(methylaminomethyl)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: 146899592
• Molecular Formula: C28H41FN4O3
• Molecular Weight: 500.66 g/mol
• Exact Mass: 500.32
• IUPAC Name: (1R)-2-acetyl-N-(2-fluorophenyl)-7-methoxy-1-(methylaminomethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide
• SMILES: CNC[C@H]1C2CC3CC(OC)CCC3C2C2(CCN(C(=O)Nc3ccccc3F)CC2)CN1C(C)=O
• InChI: InChI=1S/C28H41FN4O3/c1-18(34)33-17-28(10-12-32(13-11-28)27(35)31-24-7-5-4-6-23(24)29)26-21-9-8-20(36-3)14-19(21)15-22(26)25(33)16-30-2/h4-7,19-22,25-26,30H,8-17H2,1-3H3,(H,31,35)/t19?,20?,21?,22?,25-,26?/m0/s1
• InChIKey: APXFTRSYNDNLKH-DPYOMYKMSA-N
• XLogP: 3.96
• TPSA: 73.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.66
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (1R)-2-acetyl-N-(2-fluorophenyl)-7-methoxy-1-(methylaminomethyl)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-(methylaminomethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide (CID 146899592) is (1R)-2-acetyl-N-(2-fluorophenyl)-7-methoxy-1-(methylaminomethyl)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-(methylaminomethyl)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-(methylaminomethyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide is CNC[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-(methylaminomethyl)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 APXFTRSYNDNLKH-DPYOMYKMSA-N. The full InChI is InChI=1S/C28H41FN4O3/c1-18(34)33-17-28(10-12-32(13-11-28)27(35)31-24-7-5-4-6-23(24)29)26-21-9-8-20(36-3)14-19(21)15-22(26)25(33)16-30-2/h4-7,19-22,25-26,30H,8-17H2,1-3H3,(H,31,35)/t19?,20?,21?,22?,25-,26?/m0/s1.

What are the key properties of (1R)-2-acetyl-N-(2-fluorophenyl)-7-methoxy-1-(methylaminomethyl)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-(methylaminomethyl)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 500.66 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-2-acetyl-N-(2-fluorophenyl)-7-methoxy-1-(methylaminomethyl)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 146899592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).