N-[(3S,3'S,4'R,5'S)-5'-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4'-[hydroxy(dimethyl)silyl]-3'-methyl-2-oxospiro[1H-indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide

C31H42N4O6Si — CID 23956459

About N-[(3S,3'S,4'R,5'S)-5'-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4'-[hydroxy(dimethyl)silyl]-3'-methyl-2-oxospiro[1H-indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide

N-[(3S,3'S,4'R,5'S)-5'-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4'-[hydroxy(dimethyl)silyl]-3'-methyl-2-oxospiro[1H-indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide (PubChem CID 23956459) has the molecular formula C31H42N4O6Si and a molecular weight of 594.79 g/mol. Its IUPAC name is N-[(3S,3'S,4'R,5'S)-5'-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4'-[hydroxy(dimethyl)silyl]-3'-methyl-2-oxospiro[1H-indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(3S,3'S,4'R,5'S)-5'-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4'-[hydroxy(dimethyl)silyl]-3'-methyl-2-oxospiro[1H-indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide
• PubChem CID: 23956459
• Molecular Formula: C31H42N4O6Si
• Molecular Weight: 594.79 g/mol
• Exact Mass: 594.29
• IUPAC Name: N-[(3S,3'S,4'R,5'S)-5'-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4'-[hydroxy(dimethyl)silyl]-3'-methyl-2-oxospiro[1H-indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide
• SMILES: C[C@@H]1[C@@H]([Si](C)(C)O)[C@H](CC(=O)N(CCO)Cc2ccccc2)O[C@@]12C(=O)Nc1ccc(NC(=O)C3CCCNC3)cc12
• InChI: InChI=1S/C31H42N4O6Si/c1-20-28(42(2,3)40)26(17-27(37)35(14-15-36)19-21-8-5-4-6-9-21)41-31(20)24-16-23(11-12-25(24)34-30(31)39)33-29(38)22-10-7-13-32-18-22/h4-6,8-9,11-12,16,20,22,26,28,32,36,40H,7,10,13-15,17-19H2,1-3H3,(H,33,38)(H,34,39)/t20-,22?,26+,28-,31+/m1/s1
• InChIKey: NXCNMNOHJNGTOW-YCGKVFSPSA-N
• XLogP: 2.79
• TPSA: 140.23 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	594.79
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	5
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-[(3S,3'S,4'R,5'S)-5'-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4'-[hydroxy(dimethyl)silyl]-3'-methyl-2-oxospiro[1H-indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide?

The IUPAC name of N-[(3S,3'S,4'R,5'S)-5'-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4'-[hydroxy(dimethyl)silyl]-3'-methyl-2-oxospiro[1H-indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide (CID 23956459) is N-[(3S,3'S,4'R,5'S)-5'-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4'-[hydroxy(dimethyl)silyl]-3'-methyl-2-oxospiro[1H-indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide.

What is the SMILES notation for N-[(3S,3'S,4'R,5'S)-5'-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4'-[hydroxy(dimethyl)silyl]-3'-methyl-2-oxospiro[1H-indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide?

The canonical SMILES for N-[(3S,3'S,4'R,5'S)-5'-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4'-[hydroxy(dimethyl)silyl]-3'-methyl-2-oxospiro[1H-indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide is C[C@@H]1[C@@H]([Si](C)(C)O)[C@H](CC(=O)N(CCO)Cc2ccccc2)O[C@@]12C(=O)Nc1ccc(NC(=O)C3CCCNC3)cc12.

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

The InChIKey is NXCNMNOHJNGTOW-YCGKVFSPSA-N. The full InChI is InChI=1S/C31H42N4O6Si/c1-20-28(42(2,3)40)26(17-27(37)35(14-15-36)19-21-8-5-4-6-9-21)41-31(20)24-16-23(11-12-25(24)34-30(31)39)33-29(38)22-10-7-13-32-18-22/h4-6,8-9,11-12,16,20,22,26,28,32,36,40H,7,10,13-15,17-19H2,1-3H3,(H,33,38)(H,34,39)/t20-,22?,26+,28-,31+/m1/s1.

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

N-[(3S,3'S,4'R,5'S)-5'-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4'-[hydroxy(dimethyl)silyl]-3'-methyl-2-oxospiro[1H-indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide has a molecular weight of 594.79 g/mol, XLogP of 2.79, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S,3'S,4'R,5'S)-5'-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-4'-[hydroxy(dimethyl)silyl]-3'-methyl-2-oxospiro[1H-indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide is sourced from PubChem (CID 23956459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).