4-[[8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]benzonitrile;4-[[8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]benzonitrile;1'-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one;1'-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one

C92H94N14O8S2 — CID 158778064

About 4-[[8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]benzonitrile;4-[[8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]benzonitrile;1'-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one;1'-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one

4-[[8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]benzonitrile;4-[[8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]benzonitrile;1'-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one;1'-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 158778064) has the molecular formula C92H94N14O8S2 and a molecular weight of 1587.99 g/mol. Its IUPAC name is 4-[[8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]benzonitrile;4-[[8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]benzonitrile;1'-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one;1'-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

• Compound Name: 4-[[8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]benzonitrile;4-[[8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]benzonitrile;1'-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one;1'-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
• PubChem CID: 158778064
• Molecular Formula: C92H94N14O8S2
• Molecular Weight: 1587.99 g/mol
• Exact Mass: 1586.68
• IUPAC Name: 4-[[8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]benzonitrile;4-[[8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]benzonitrile;1'-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one;1'-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
• SMILES: C[C@@H](c1ccc2c(c1)OCC2)N1CCC2(CC1)C(=O)Nc1ccccc12.C[C@@H](c1ccc2scnc2c1)N1CCC2(CC1)NC(=O)N(Cc1ccc(C#N)cc1)C2=O.C[C@H](c1ccc2c(c1)OCC2)N1CCC2(CC1)C(=O)Nc1ccccc12.C[C@H](c1ccc2scnc2c1)N1CCC2(CC1)NC(=O)N(Cc1ccc(C#N)cc1)C2=O
• InChI: InChI=1S/2C24H23N5O2S.2C22H24N2O2/c2*1-16(19-6-7-21-20(12-19)26-15-32-21)28-10-8-24(9-11-28)22(30)29(23(31)27-24)14-18-4-2-17(13-25)3-5-18;2*1-15(17-7-6-16-8-13-26-20(16)14-17)24-11-9-22(10-12-24)18-4-2-3-5-19(18)23-21(22)25/h2*2-7,12,15-16H,8-11,14H2,1H3,(H,27,31);2*2-7,14-15H,8-13H2,1H3,(H,23,25)/t2*16-;2*15-/m1010/s1
• InChIKey: IQSLYEGEUQKEJH-AQRWYNRTSA-N
• XLogP: 14.97
• TPSA: 261.80 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1587.99
LogP ≤ 5	14.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]benzonitrile;4-[[8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]benzonitrile;1'-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one;1'-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one?

The IUPAC name of 4-[[8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]benzonitrile;4-[[8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]benzonitrile;1'-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one;1'-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one (CID 158778064) is 4-[[8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]benzonitrile;4-[[8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]benzonitrile;1'-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one;1'-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one.

What is the SMILES notation for 4-[[8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]benzonitrile;4-[[8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]benzonitrile;1'-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one;1'-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one?

The canonical SMILES for 4-[[8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]benzonitrile;4-[[8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]benzonitrile;1'-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one;1'-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one is C[C@@H](c1ccc2c(c1)OCC2)N1CCC2(CC1)C(=O)Nc1ccccc12.C[C@@H](c1ccc2scnc2c1)N1CCC2(CC1)NC(=O)N(Cc1ccc(C#N)cc1)C2=O.C[C@H](c1ccc2c(c1)OCC2)N1CCC2(CC1)C(=O)Nc1ccccc12.C[C@H](c1ccc2scnc2c1)N1CCC2(CC1)NC(=O)N(Cc1ccc(C#N)cc1)C2=O.

What is the InChIKey of 4-[[8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]benzonitrile;4-[[8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]benzonitrile;1'-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one;1'-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one?

The InChIKey is IQSLYEGEUQKEJH-AQRWYNRTSA-N. The full InChI is InChI=1S/2C24H23N5O2S.2C22H24N2O2/c2*1-16(19-6-7-21-20(12-19)26-15-32-21)28-10-8-24(9-11-28)22(30)29(23(31)27-24)14-18-4-2-17(13-25)3-5-18;2*1-15(17-7-6-16-8-13-26-20(16)14-17)24-11-9-22(10-12-24)18-4-2-3-5-19(18)23-21(22)25/h2*2-7,12,15-16H,8-11,14H2,1H3,(H,27,31);2*2-7,14-15H,8-13H2,1H3,(H,23,25)/t2*16-;2*15-/m1010/s1.

What are the key properties of 4-[[8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]benzonitrile;4-[[8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]benzonitrile;1'-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one;1'-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one?

4-[[8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]benzonitrile;4-[[8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]benzonitrile;1'-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one;1'-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 1587.99 g/mol, XLogP of 14.97, 12 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]benzonitrile;4-[[8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]benzonitrile;1'-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one;1'-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 158778064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).