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

C26H38FN3O5S — CID 146899692

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

(1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-methylsulfonylspiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide (PubChem CID 146899692) has the molecular formula C26H38FN3O5S and a molecular weight of 523.67 g/mol. Its IUPAC name is (1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-methylsulfonylspiro[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)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-methylsulfonylspiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide
• PubChem CID: 146899692
• Molecular Formula: C26H38FN3O5S
• Molecular Weight: 523.67 g/mol
• Exact Mass: 523.25
• IUPAC Name: (1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-methylsulfonylspiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide
• SMILES: COC1CCC2C(C1)CC1C2C2(CCN(C(=O)Nc3ccccc3F)CC2)CN(S(C)(=O)=O)[C@H]1CO
• InChI: InChI=1S/C26H38FN3O5S/c1-35-18-7-8-19-17(13-18)14-20-23(15-31)30(36(2,33)34)16-26(24(19)20)9-11-29(12-10-26)25(32)28-22-6-4-3-5-21(22)27/h3-6,17-20,23-24,31H,7-16H2,1-2H3,(H,28,32)/t17?,18?,19?,20?,23-,24?/m0/s1
• InChIKey: IVWKLZWBXVRWDW-YWIDCLPFSA-N
• XLogP: 3.14
• TPSA: 99.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.67
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-methylsulfonylspiro[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)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-methylsulfonylspiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide (CID 146899692) is (1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-methylsulfonylspiro[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)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-methylsulfonylspiro[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)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-methylsulfonylspiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide is COC1CCC2C(C1)CC1C2C2(CCN(C(=O)Nc3ccccc3F)CC2)CN(S(C)(=O)=O)[C@H]1CO.

What is the InChIKey of (1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-methylsulfonylspiro[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 IVWKLZWBXVRWDW-YWIDCLPFSA-N. The full InChI is InChI=1S/C26H38FN3O5S/c1-35-18-7-8-19-17(13-18)14-20-23(15-31)30(36(2,33)34)16-26(24(19)20)9-11-29(12-10-26)25(32)28-22-6-4-3-5-21(22)27/h3-6,17-20,23-24,31H,7-16H2,1-2H3,(H,28,32)/t17?,18?,19?,20?,23-,24?/m0/s1.

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

(1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-methylsulfonylspiro[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 523.67 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-methylsulfonylspiro[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 146899692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).