N-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxospiro[1H-indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide

C32H42N6O5Si — CID 23786699

About N-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxospiro[1H-indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide

N-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxospiro[1H-indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide (PubChem CID 23786699) has the molecular formula C32H42N6O5Si and a molecular weight of 618.81 g/mol. Its IUPAC name is N-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxospiro[1H-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-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxospiro[1H-indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide
• PubChem CID: 23786699
• Molecular Formula: C32H42N6O5Si
• Molecular Weight: 618.81 g/mol
• Exact Mass: 618.30
• IUPAC Name: N-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-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](CCn2cc(C(CO)c3ccccc3)nn2)O[C@]12C(=O)Nc1ccc(NC(=O)C3CCCNC3)cc12
• InChI: InChI=1S/C32H42N6O5Si/c1-20-29(44(2,3)42)28(13-15-38-18-27(36-37-38)24(19-39)21-8-5-4-6-9-21)43-32(20)25-16-23(11-12-26(25)35-31(32)41)34-30(40)22-10-7-14-33-17-22/h4-6,8-9,11-12,16,18,20,22,24,28-29,33,39,42H,7,10,13-15,17,19H2,1-3H3,(H,34,40)(H,35,41)/t20-,22?,24?,28+,29-,32+/m0/s1
• InChIKey: OKURKLBTXDUSMC-BXONDBTCSA-N
• XLogP: 3.18
• TPSA: 150.63 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	618.81
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

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-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxospiro[1H-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-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxospiro[1H-indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide (CID 23786699) is N-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxospiro[1H-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-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxospiro[1H-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-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-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](CCn2cc(C(CO)c3ccccc3)nn2)O[C@]12C(=O)Nc1ccc(NC(=O)C3CCCNC3)cc12.

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

The InChIKey is OKURKLBTXDUSMC-BXONDBTCSA-N. The full InChI is InChI=1S/C32H42N6O5Si/c1-20-29(44(2,3)42)28(13-15-38-18-27(36-37-38)24(19-39)21-8-5-4-6-9-21)43-32(20)25-16-23(11-12-26(25)35-31(32)41)34-30(40)22-10-7-14-33-17-22/h4-6,8-9,11-12,16,18,20,22,24,28-29,33,39,42H,7,10,13-15,17,19H2,1-3H3,(H,34,40)(H,35,41)/t20-,22?,24?,28+,29-,32+/m0/s1.

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

N-[(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxospiro[1H-indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide has a molecular weight of 618.81 g/mol, XLogP of 3.18, 9 rotatable bonds, 5 hydrogen bond donors, and 9 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-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-3'-methyl-2-oxospiro[1H-indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide is sourced from PubChem (CID 23786699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).