(3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-5-(2-oxopiperazin-1-yl)spiro[indole-3,2'-oxolane]-2-one

C28H37N3O5Si — CID 23757377

IUPAC(3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-5-(2-oxopiperazin-1-yl)spiro[indole-3,2'-oxolane]-2-one
SMILESCOc1ccc([Si](C)(C)[C@@H]2[C@@H](CCO)O[C@]3(C(=O)N(C)c4ccc(N5CCNCC5=O)cc43)[C@H]2C)cc1
InChIInChI=1S/C28H37N3O5Si/c1-18-26(37(4,5)21-9-7-20(35-3)8-10-21)24(12-15-32)36-28(18)22-16-19(31-14-13-29-17-25(31)33)6-11-23(22)30(2)27(28)34/h6-11,16,18,24,26,29,32H,12-15,17H2,1-5H3/t18-,24+,26-,28+/m0/s1
InChIKeyCEDMKHJYAIUPAS-LUFJQHNWSA-N
MW523.71 g/mol
LogP2.21
Rot. Bonds6

About (3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-5-(2-oxopiperazin-1-yl)spiro[indole-3,2'-oxolane]-2-one

(3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-5-(2-oxopiperazin-1-yl)spiro[indole-3,2'-oxolane]-2-one (PubChem CID 23757377) has the molecular formula C28H37N3O5Si and a molecular weight of 523.71 g/mol. Its IUPAC name is (3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-5-(2-oxopiperazin-1-yl)spiro[indole-3,2'-oxolane]-2-one.

Molecular Properties

Compound Name(3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-5-(2-oxopiperazin-1-yl)spiro[indole-3,2'-oxolane]-2-one
PubChem CID23757377
Molecular FormulaC28H37N3O5Si
Molecular Weight523.71 g/mol
Exact Mass523.25
IUPAC Name(3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-5-(2-oxopiperazin-1-yl)spiro[indole-3,2'-oxolane]-2-one
SMILESCOc1ccc([Si](C)(C)[C@@H]2[C@@H](CCO)O[C@]3(C(=O)N(C)c4ccc(N5CCNCC5=O)cc43)[C@H]2C)cc1
InChIInChI=1S/C28H37N3O5Si/c1-18-26(37(4,5)21-9-7-20(35-3)8-10-21)24(12-15-32)36-28(18)22-16-19(31-14-13-29-17-25(31)33)6-11-23(22)30(2)27(28)34/h6-11,16,18,24,26,29,32H,12-15,17H2,1-5H3/t18-,24+,26-,28+/m0/s1
InChIKeyCEDMKHJYAIUPAS-LUFJQHNWSA-N
XLogP2.21
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.71
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-5-(2-oxopiperazin-1-yl)spiro[indole-3,2'-oxolane]-2-one?
The IUPAC name of (3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-5-(2-oxopiperazin-1-yl)spiro[indole-3,2'-oxolane]-2-one (CID 23757377) is (3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-5-(2-oxopiperazin-1-yl)spiro[indole-3,2'-oxolane]-2-one.
What is the SMILES notation for (3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-5-(2-oxopiperazin-1-yl)spiro[indole-3,2'-oxolane]-2-one?
The canonical SMILES for (3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-5-(2-oxopiperazin-1-yl)spiro[indole-3,2'-oxolane]-2-one is COc1ccc([Si](C)(C)[C@@H]2[C@@H](CCO)O[C@]3(C(=O)N(C)c4ccc(N5CCNCC5=O)cc43)[C@H]2C)cc1.
What is the InChIKey of (3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-5-(2-oxopiperazin-1-yl)spiro[indole-3,2'-oxolane]-2-one?
The InChIKey is CEDMKHJYAIUPAS-LUFJQHNWSA-N. The full InChI is InChI=1S/C28H37N3O5Si/c1-18-26(37(4,5)21-9-7-20(35-3)8-10-21)24(12-15-32)36-28(18)22-16-19(31-14-13-29-17-25(31)33)6-11-23(22)30(2)27(28)34/h6-11,16,18,24,26,29,32H,12-15,17H2,1-5H3/t18-,24+,26-,28+/m0/s1.
What are the key properties of (3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-5-(2-oxopiperazin-1-yl)spiro[indole-3,2'-oxolane]-2-one?
(3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-5-(2-oxopiperazin-1-yl)spiro[indole-3,2'-oxolane]-2-one has a molecular weight of 523.71 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-1,3'-dimethyl-5-(2-oxopiperazin-1-yl)spiro[indole-3,2'-oxolane]-2-one is sourced from PubChem (CID 23757377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).