N-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide

C28H42N4O6Si — CID 23900446

About N-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide

N-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide (PubChem CID 23900446) has the molecular formula C28H42N4O6Si and a molecular weight of 558.75 g/mol. Its IUPAC name is N-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide
• PubChem CID: 23900446
• Molecular Formula: C28H42N4O6Si
• Molecular Weight: 558.75 g/mol
• Exact Mass: 558.29
• IUPAC Name: N-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide
• SMILES: C[C@H]1[C@H]([Si](C)(C)O)[C@@H](CC(=O)N2CCC[C@H]2CO)O[C@]12C(=O)N(C)c1ccc(NC(=O)C3CCCNC3)cc12
• InChI: InChI=1S/C28H42N4O6Si/c1-17-25(39(3,4)37)23(14-24(34)32-12-6-8-20(32)16-33)38-28(17)21-13-19(9-10-22(21)31(2)27(28)36)30-26(35)18-7-5-11-29-15-18/h9-10,13,17-18,20,23,25,29,33,37H,5-8,11-12,14-16H2,1-4H3,(H,30,35)/t17-,18?,20-,23+,25-,28+/m0/s1
• InChIKey: HNADIOANJHTYTL-PZZIRLNWSA-N
• XLogP: 1.77
• TPSA: 131.44 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	558.75
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide?

The IUPAC name of N-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide (CID 23900446) is N-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3'-dimethyl-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)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide?

The canonical SMILES for N-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide is C[C@H]1[C@H]([Si](C)(C)O)[C@@H](CC(=O)N2CCC[C@H]2CO)O[C@]12C(=O)N(C)c1ccc(NC(=O)C3CCCNC3)cc12.

What is the InChIKey of N-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide?

The InChIKey is HNADIOANJHTYTL-PZZIRLNWSA-N. The full InChI is InChI=1S/C28H42N4O6Si/c1-17-25(39(3,4)37)23(14-24(34)32-12-6-8-20(32)16-33)38-28(17)21-13-19(9-10-22(21)31(2)27(28)36)30-26(35)18-7-5-11-29-15-18/h9-10,13,17-18,20,23,25,29,33,37H,5-8,11-12,14-16H2,1-4H3,(H,30,35)/t17-,18?,20-,23+,25-,28+/m0/s1.

What are the key properties of N-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide?

N-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide has a molecular weight of 558.75 g/mol, XLogP of 1.77, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide is sourced from PubChem (CID 23900446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).