N-[(3R,3'R,4'S,5'R)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxo-1-[[3-(piperidine-3-carbonylamino)phenyl]methyl]spiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide

C47H62N6O7Si — CID 23816409

About N-[(3R,3'R,4'S,5'R)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxo-1-[[3-(piperidine-3-carbonylamino)phenyl]methyl]spiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide

N-[(3R,3'R,4'S,5'R)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxo-1-[[3-(piperidine-3-carbonylamino)phenyl]methyl]spiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide (PubChem CID 23816409) has the molecular formula C47H62N6O7Si and a molecular weight of 851.13 g/mol. Its IUPAC name is N-[(3R,3'R,4'S,5'R)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxo-1-[[3-(piperidine-3-carbonylamino)phenyl]methyl]spiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(3R,3'R,4'S,5'R)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxo-1-[[3-(piperidine-3-carbonylamino)phenyl]methyl]spiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide
• PubChem CID: 23816409
• Molecular Formula: C47H62N6O7Si
• Molecular Weight: 851.13 g/mol
• Exact Mass: 850.44
• IUPAC Name: N-[(3R,3'R,4'S,5'R)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxo-1-[[3-(piperidine-3-carbonylamino)phenyl]methyl]spiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide
• SMILES: COc1ccc([Si](C)(C)[C@@H]2[C@@H](CC(=O)N3CCC[C@H]3CO)O[C@]3(C(=O)N(Cc4cccc(NC(=O)C5CCCNC5)c4)c4ccc(NC(=O)C5CCCNC5)cc43)[C@H]2C)cc1
• InChI: InChI=1S/C47H62N6O7Si/c1-30-43(61(3,4)38-17-15-37(59-2)16-18-38)41(25-42(55)52-22-8-13-36(52)29-54)60-47(30)39-24-35(51-45(57)33-11-7-21-49-27-33)14-19-40(39)53(46(47)58)28-31-9-5-12-34(23-31)50-44(56)32-10-6-20-48-26-32/h5,9,12,14-19,23-24,30,32-33,36,41,43,48-49,54H,6-8,10-11,13,20-22,25-29H2,1-4H3,(H,50,56)(H,51,57)/t30-,32?,33?,36-,41+,43-,47+/m0/s1
• InChIKey: VZMJAQRSPSYEJU-GLKWABJBSA-N
• XLogP: 4.71
• TPSA: 161.57 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	851.13
LogP ≤ 5	4.71
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)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxo-1-[[3-(piperidine-3-carbonylamino)phenyl]methyl]spiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide?

The IUPAC name of N-[(3R,3'R,4'S,5'R)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxo-1-[[3-(piperidine-3-carbonylamino)phenyl]methyl]spiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide (CID 23816409) is N-[(3R,3'R,4'S,5'R)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxo-1-[[3-(piperidine-3-carbonylamino)phenyl]methyl]spiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide.

What is the SMILES notation for N-[(3R,3'R,4'S,5'R)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxo-1-[[3-(piperidine-3-carbonylamino)phenyl]methyl]spiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide?

The canonical SMILES for N-[(3R,3'R,4'S,5'R)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxo-1-[[3-(piperidine-3-carbonylamino)phenyl]methyl]spiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide is COc1ccc([Si](C)(C)[C@@H]2[C@@H](CC(=O)N3CCC[C@H]3CO)O[C@]3(C(=O)N(Cc4cccc(NC(=O)C5CCCNC5)c4)c4ccc(NC(=O)C5CCCNC5)cc43)[C@H]2C)cc1.

What is the InChIKey of N-[(3R,3'R,4'S,5'R)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxo-1-[[3-(piperidine-3-carbonylamino)phenyl]methyl]spiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide?

The InChIKey is VZMJAQRSPSYEJU-GLKWABJBSA-N. The full InChI is InChI=1S/C47H62N6O7Si/c1-30-43(61(3,4)38-17-15-37(59-2)16-18-38)41(25-42(55)52-22-8-13-36(52)29-54)60-47(30)39-24-35(51-45(57)33-11-7-21-49-27-33)14-19-40(39)53(46(47)58)28-31-9-5-12-34(23-31)50-44(56)32-10-6-20-48-26-32/h5,9,12,14-19,23-24,30,32-33,36,41,43,48-49,54H,6-8,10-11,13,20-22,25-29H2,1-4H3,(H,50,56)(H,51,57)/t30-,32?,33?,36-,41+,43-,47+/m0/s1.

What are the key properties of N-[(3R,3'R,4'S,5'R)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxo-1-[[3-(piperidine-3-carbonylamino)phenyl]methyl]spiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide?

N-[(3R,3'R,4'S,5'R)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxo-1-[[3-(piperidine-3-carbonylamino)phenyl]methyl]spiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide has a molecular weight of 851.13 g/mol, XLogP of 4.71, 12 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)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxo-1-[[3-(piperidine-3-carbonylamino)phenyl]methyl]spiro[indole-3,2'-oxolane]-5-yl]piperidine-3-carboxamide is sourced from PubChem (CID 23816409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).