N-[(3R,3'R,4'S,5'R)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide

C32H48FN3O4Si — CID 23757394

About N-[(3R,3'R,4'S,5'R)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide

N-[(3R,3'R,4'S,5'R)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide (PubChem CID 23757394) has the molecular formula C32H48FN3O4Si and a molecular weight of 585.84 g/mol. Its IUPAC name is N-[(3R,3'R,4'S,5'R)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(3R,3'R,4'S,5'R)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide
• PubChem CID: 23757394
• Molecular Formula: C32H48FN3O4Si
• Molecular Weight: 585.84 g/mol
• Exact Mass: 585.34
• IUPAC Name: N-[(3R,3'R,4'S,5'R)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide
• SMILES: CC(C)=CCC/C(C)=C/CN1C(=O)[C@]2(O[C@H](CCO)[C@@H]([Si](C)(C)F)[C@@H]2C)c2cc(NC(=O)C3CCCNC3)ccc21
• InChI: InChI=1S/C32H48FN3O4Si/c1-21(2)9-7-10-22(3)14-17-36-27-13-12-25(35-30(38)24-11-8-16-34-20-24)19-26(27)32(31(36)39)23(4)29(41(5,6)33)28(40-32)15-18-37/h9,12-14,19,23-24,28-29,34,37H,7-8,10-11,15-18,20H2,1-6H3,(H,35,38)/b22-14+/t23-,24?,28+,29-,32+/m0/s1
• InChIKey: GMAOCHPFOUSMBY-ZOTJCWHHSA-N
• XLogP: 5.82
• TPSA: 90.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	585.84
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(3R,3'R,4'S,5'R)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide?

The IUPAC name of N-[(3R,3'R,4'S,5'R)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide (CID 23757394) is N-[(3R,3'R,4'S,5'R)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide.

What is the SMILES notation for N-[(3R,3'R,4'S,5'R)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide?

The canonical SMILES for N-[(3R,3'R,4'S,5'R)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide is CC(C)=CCC/C(C)=C/CN1C(=O)[C@]2(O[C@H](CCO)[C@@H]([Si](C)(C)F)[C@@H]2C)c2cc(NC(=O)C3CCCNC3)ccc21.

What is the InChIKey of N-[(3R,3'R,4'S,5'R)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide?

The InChIKey is GMAOCHPFOUSMBY-ZOTJCWHHSA-N. The full InChI is InChI=1S/C32H48FN3O4Si/c1-21(2)9-7-10-22(3)14-17-36-27-13-12-25(35-30(38)24-11-8-16-34-20-24)19-26(27)32(31(36)39)23(4)29(41(5,6)33)28(40-32)15-18-37/h9,12-14,19,23-24,28-29,34,37H,7-8,10-11,15-18,20H2,1-6H3,(H,35,38)/b22-14+/t23-,24?,28+,29-,32+/m0/s1.

What are the key properties of N-[(3R,3'R,4'S,5'R)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide?

N-[(3R,3'R,4'S,5'R)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide has a molecular weight of 585.84 g/mol, XLogP of 5.82, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R,3'R,4'S,5'R)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]-4'-[fluoro(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide is sourced from PubChem (CID 23757394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).