(3S,3'S,4'R,5'S)-1-benzyl-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxopiperazin-1-yl)spiro[indole-3,2'-oxolane]-2-one

C31H40N6O5Si — CID 23985373

About (3S,3'S,4'R,5'S)-1-benzyl-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxopiperazin-1-yl)spiro[indole-3,2'-oxolane]-2-one

(3S,3'S,4'R,5'S)-1-benzyl-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxopiperazin-1-yl)spiro[indole-3,2'-oxolane]-2-one (PubChem CID 23985373) has the molecular formula C31H40N6O5Si and a molecular weight of 604.78 g/mol. Its IUPAC name is (3S,3'S,4'R,5'S)-1-benzyl-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxopiperazin-1-yl)spiro[indole-3,2'-oxolane]-2-one.

Molecular Properties

• Compound Name: (3S,3'S,4'R,5'S)-1-benzyl-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxopiperazin-1-yl)spiro[indole-3,2'-oxolane]-2-one
• PubChem CID: 23985373
• Molecular Formula: C31H40N6O5Si
• Molecular Weight: 604.78 g/mol
• Exact Mass: 604.28
• IUPAC Name: (3S,3'S,4'R,5'S)-1-benzyl-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxopiperazin-1-yl)spiro[indole-3,2'-oxolane]-2-one
• SMILES: C[C@@H]1[C@@H]([Si](C)(C)O)[C@H](CCn2cc(CCO)nn2)O[C@@]12C(=O)N(Cc1ccccc1)c1ccc(N3CCNCC3=O)cc12
• InChI: InChI=1S/C31H40N6O5Si/c1-21-29(43(2,3)41)27(11-14-35-20-23(12-16-38)33-34-35)42-31(21)25-17-24(36-15-13-32-18-28(36)39)9-10-26(25)37(30(31)40)19-22-7-5-4-6-8-22/h4-10,17,20-21,27,29,32,38,41H,11-16,18-19H2,1-3H3/t21-,27+,29-,31+/m1/s1
• InChIKey: YEQQOXPSCKJPKT-NFZXEAEESA-N
• XLogP: 2.18
• TPSA: 133.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	604.78
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	3
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 (3S,3'S,4'R,5'S)-1-benzyl-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxopiperazin-1-yl)spiro[indole-3,2'-oxolane]-2-one?

The IUPAC name of (3S,3'S,4'R,5'S)-1-benzyl-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxopiperazin-1-yl)spiro[indole-3,2'-oxolane]-2-one (CID 23985373) is (3S,3'S,4'R,5'S)-1-benzyl-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxopiperazin-1-yl)spiro[indole-3,2'-oxolane]-2-one.

What is the SMILES notation for (3S,3'S,4'R,5'S)-1-benzyl-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxopiperazin-1-yl)spiro[indole-3,2'-oxolane]-2-one?

The canonical SMILES for (3S,3'S,4'R,5'S)-1-benzyl-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxopiperazin-1-yl)spiro[indole-3,2'-oxolane]-2-one is C[C@@H]1[C@@H]([Si](C)(C)O)[C@H](CCn2cc(CCO)nn2)O[C@@]12C(=O)N(Cc1ccccc1)c1ccc(N3CCNCC3=O)cc12.

What is the InChIKey of (3S,3'S,4'R,5'S)-1-benzyl-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxopiperazin-1-yl)spiro[indole-3,2'-oxolane]-2-one?

The InChIKey is YEQQOXPSCKJPKT-NFZXEAEESA-N. The full InChI is InChI=1S/C31H40N6O5Si/c1-21-29(43(2,3)41)27(11-14-35-20-23(12-16-38)33-34-35)42-31(21)25-17-24(36-15-13-32-18-28(36)39)9-10-26(25)37(30(31)40)19-22-7-5-4-6-8-22/h4-10,17,20-21,27,29,32,38,41H,11-16,18-19H2,1-3H3/t21-,27+,29-,31+/m1/s1.

What are the key properties of (3S,3'S,4'R,5'S)-1-benzyl-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxopiperazin-1-yl)spiro[indole-3,2'-oxolane]-2-one?

(3S,3'S,4'R,5'S)-1-benzyl-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxopiperazin-1-yl)spiro[indole-3,2'-oxolane]-2-one has a molecular weight of 604.78 g/mol, XLogP of 2.18, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,3'S,4'R,5'S)-1-benzyl-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methyl-5-(2-oxopiperazin-1-yl)spiro[indole-3,2'-oxolane]-2-one is sourced from PubChem (CID 23985373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).