(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxopiperidin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one

C31H38FN5O4Si — CID 23787110

About (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxopiperidin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one

(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxopiperidin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one (PubChem CID 23787110) has the molecular formula C31H38FN5O4Si and a molecular weight of 591.76 g/mol. Its IUPAC name is (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxopiperidin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one.

Molecular Properties

• Compound Name: (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxopiperidin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one
• PubChem CID: 23787110
• Molecular Formula: C31H38FN5O4Si
• Molecular Weight: 591.76 g/mol
• Exact Mass: 591.27
• IUPAC Name: (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxopiperidin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one
• SMILES: C[C@@H]1[C@@H]([Si](C)(C)F)[C@H](CCn2cc(C(CO)c3ccccc3)nn2)O[C@@]12C(=O)Nc1ccc(N3CCCCC3=O)cc12
• InChI: InChI=1S/C31H38FN5O4Si/c1-20-29(42(2,3)32)27(14-16-36-18-26(34-35-36)23(19-38)21-9-5-4-6-10-21)41-31(20)24-17-22(12-13-25(24)33-30(31)40)37-15-8-7-11-28(37)39/h4-6,9-10,12-13,17-18,20,23,27,29,38H,7-8,11,14-16,19H2,1-3H3,(H,33,40)/t20-,23?,27+,29-,31+/m1/s1
• InChIKey: UTWLLGORVZLEEF-NIXMTNLUSA-N
• XLogP: 4.74
• TPSA: 109.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	591.76
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxopiperidin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one?

The IUPAC name of (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxopiperidin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one (CID 23787110) is (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxopiperidin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one.

What is the SMILES notation for (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxopiperidin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one?

The canonical SMILES for (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxopiperidin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one is C[C@@H]1[C@@H]([Si](C)(C)F)[C@H](CCn2cc(C(CO)c3ccccc3)nn2)O[C@@]12C(=O)Nc1ccc(N3CCCCC3=O)cc12.

What is the InChIKey of (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxopiperidin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one?

The InChIKey is UTWLLGORVZLEEF-NIXMTNLUSA-N. The full InChI is InChI=1S/C31H38FN5O4Si/c1-20-29(42(2,3)32)27(14-16-36-18-26(34-35-36)23(19-38)21-9-5-4-6-10-21)41-31(20)24-17-22(12-13-25(24)33-30(31)40)37-15-8-7-11-28(37)39/h4-6,9-10,12-13,17-18,20,23,27,29,38H,7-8,11,14-16,19H2,1-3H3,(H,33,40)/t20-,23?,27+,29-,31+/m1/s1.

What are the key properties of (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxopiperidin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one?

(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxopiperidin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one has a molecular weight of 591.76 g/mol, XLogP of 4.74, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxopiperidin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one is sourced from PubChem (CID 23787110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).