methyl 5-[(3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxo-5-(2-oxopiperidin-1-yl)spiro[indole-3,2'-oxolane]-1-yl]pentanoate

C34H46N2O7Si — CID 23928236

About methyl 5-[(3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxo-5-(2-oxopiperidin-1-yl)spiro[indole-3,2'-oxolane]-1-yl]pentanoate

methyl 5-[(3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxo-5-(2-oxopiperidin-1-yl)spiro[indole-3,2'-oxolane]-1-yl]pentanoate (PubChem CID 23928236) has the molecular formula C34H46N2O7Si and a molecular weight of 622.84 g/mol. Its IUPAC name is methyl 5-[(3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxo-5-(2-oxopiperidin-1-yl)spiro[indole-3,2'-oxolane]-1-yl]pentanoate.

Molecular Properties

• Compound Name: methyl 5-[(3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxo-5-(2-oxopiperidin-1-yl)spiro[indole-3,2'-oxolane]-1-yl]pentanoate
• PubChem CID: 23928236
• Molecular Formula: C34H46N2O7Si
• Molecular Weight: 622.84 g/mol
• Exact Mass: 622.31
• IUPAC Name: methyl 5-[(3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxo-5-(2-oxopiperidin-1-yl)spiro[indole-3,2'-oxolane]-1-yl]pentanoate
• SMILES: COC(=O)CCCCN1C(=O)[C@]2(O[C@H](CCO)[C@@H]([Si](C)(C)c3ccc(OC)cc3)[C@@H]2C)c2cc(N3CCCCC3=O)ccc21
• InChI: InChI=1S/C34H46N2O7Si/c1-23-32(44(4,5)26-15-13-25(41-2)14-16-26)29(18-21-37)43-34(23)27-22-24(35-19-8-6-10-30(35)38)12-17-28(27)36(33(34)40)20-9-7-11-31(39)42-3/h12-17,22-23,29,32,37H,6-11,18-21H2,1-5H3/t23-,29+,32-,34+/m0/s1
• InChIKey: ZMRWQSIFUAYCON-PNMSMGMCSA-N
• XLogP: 4.50
• TPSA: 105.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	622.84
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxo-5-(2-oxopiperidin-1-yl)spiro[indole-3,2'-oxolane]-1-yl]pentanoate?

The IUPAC name of methyl 5-[(3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxo-5-(2-oxopiperidin-1-yl)spiro[indole-3,2'-oxolane]-1-yl]pentanoate (CID 23928236) is methyl 5-[(3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxo-5-(2-oxopiperidin-1-yl)spiro[indole-3,2'-oxolane]-1-yl]pentanoate.

What is the SMILES notation for methyl 5-[(3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxo-5-(2-oxopiperidin-1-yl)spiro[indole-3,2'-oxolane]-1-yl]pentanoate?

The canonical SMILES for methyl 5-[(3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxo-5-(2-oxopiperidin-1-yl)spiro[indole-3,2'-oxolane]-1-yl]pentanoate is COC(=O)CCCCN1C(=O)[C@]2(O[C@H](CCO)[C@@H]([Si](C)(C)c3ccc(OC)cc3)[C@@H]2C)c2cc(N3CCCCC3=O)ccc21.

What is the InChIKey of methyl 5-[(3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxo-5-(2-oxopiperidin-1-yl)spiro[indole-3,2'-oxolane]-1-yl]pentanoate?

The InChIKey is ZMRWQSIFUAYCON-PNMSMGMCSA-N. The full InChI is InChI=1S/C34H46N2O7Si/c1-23-32(44(4,5)26-15-13-25(41-2)14-16-26)29(18-21-37)43-34(23)27-22-24(35-19-8-6-10-30(35)38)12-17-28(27)36(33(34)40)20-9-7-11-31(39)42-3/h12-17,22-23,29,32,37H,6-11,18-21H2,1-5H3/t23-,29+,32-,34+/m0/s1.

What are the key properties of methyl 5-[(3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxo-5-(2-oxopiperidin-1-yl)spiro[indole-3,2'-oxolane]-1-yl]pentanoate?

methyl 5-[(3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxo-5-(2-oxopiperidin-1-yl)spiro[indole-3,2'-oxolane]-1-yl]pentanoate has a molecular weight of 622.84 g/mol, XLogP of 4.50, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-[(3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxo-5-(2-oxopiperidin-1-yl)spiro[indole-3,2'-oxolane]-1-yl]pentanoate is sourced from PubChem (CID 23928236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).