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

C43H55N3O8Si — CID 23900306

About methyl 5-[(3R,3'R,4'S,5'R)-5'-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-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-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxo-5-(2-oxopiperidin-1-yl)spiro[indole-3,2'-oxolane]-1-yl]pentanoate (PubChem CID 23900306) has the molecular formula C43H55N3O8Si and a molecular weight of 770.01 g/mol. Its IUPAC name is methyl 5-[(3R,3'R,4'S,5'R)-5'-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-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-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxo-5-(2-oxopiperidin-1-yl)spiro[indole-3,2'-oxolane]-1-yl]pentanoate
• PubChem CID: 23900306
• Molecular Formula: C43H55N3O8Si
• Molecular Weight: 770.01 g/mol
• Exact Mass: 769.38
• IUPAC Name: methyl 5-[(3R,3'R,4'S,5'R)-5'-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-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](CC(=O)N(CCO)Cc3ccccc3)[C@@H]([Si](C)(C)c3ccc(OC)cc3)[C@@H]2C)c2cc(N3CCCCC3=O)ccc21
• InChI: InChI=1S/C43H55N3O8Si/c1-30-41(55(4,5)34-20-18-33(52-2)19-21-34)37(28-39(49)44(25-26-47)29-31-13-7-6-8-14-31)54-43(30)35-27-32(45-23-11-9-15-38(45)48)17-22-36(35)46(42(43)51)24-12-10-16-40(50)53-3/h6-8,13-14,17-22,27,30,37,41,47H,9-12,15-16,23-26,28-29H2,1-5H3/t30-,37+,41-,43+/m0/s1
• InChIKey: LFHNHAGZCRTARW-ASYBLFBVSA-N
• XLogP: 5.53
• TPSA: 125.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	770.01
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

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-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-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-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxo-5-(2-oxopiperidin-1-yl)spiro[indole-3,2'-oxolane]-1-yl]pentanoate (CID 23900306) is methyl 5-[(3R,3'R,4'S,5'R)-5'-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-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-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-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-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-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](CC(=O)N(CCO)Cc3ccccc3)[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-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxo-5-(2-oxopiperidin-1-yl)spiro[indole-3,2'-oxolane]-1-yl]pentanoate?

The InChIKey is LFHNHAGZCRTARW-ASYBLFBVSA-N. The full InChI is InChI=1S/C43H55N3O8Si/c1-30-41(55(4,5)34-20-18-33(52-2)19-21-34)37(28-39(49)44(25-26-47)29-31-13-7-6-8-14-31)54-43(30)35-27-32(45-23-11-9-15-38(45)48)17-22-36(35)46(42(43)51)24-12-10-16-40(50)53-3/h6-8,13-14,17-22,27,30,37,41,47H,9-12,15-16,23-26,28-29H2,1-5H3/t30-,37+,41-,43+/m0/s1.

What are the key properties of methyl 5-[(3R,3'R,4'S,5'R)-5'-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-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-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-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 770.01 g/mol, XLogP of 5.53, 15 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-[(3R,3'R,4'S,5'R)-5'-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-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 23900306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).