5-ethyl-1'-methylspiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaene-7,4'-piperidine]-6-one;2-[5-ethyl-7-(2-methylsulfonyloxyethyl)-6-oxo-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-7-yl]ethyl methanesulfonate;5-ethyl-1'-methyl-15-(2-trimethylsilylethoxymethyl)spiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaene-7,4'-piperidine]-6-one;oxolane

C86H120N14O12S2Si2 — CID 159752508

About 5-ethyl-1'-methylspiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaene-7,4'-piperidine]-6-one;2-[5-ethyl-7-(2-methylsulfonyloxyethyl)-6-oxo-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-7-yl]ethyl methanesulfonate;5-ethyl-1'-methyl-15-(2-trimethylsilylethoxymethyl)spiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaene-7,4'-piperidine]-6-one;oxolane

5-ethyl-1'-methylspiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaene-7,4'-piperidine]-6-one;2-[5-ethyl-7-(2-methylsulfonyloxyethyl)-6-oxo-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-7-yl]ethyl methanesulfonate;5-ethyl-1'-methyl-15-(2-trimethylsilylethoxymethyl)spiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaene-7,4'-piperidine]-6-one;oxolane (PubChem CID 159752508) has the molecular formula C86H120N14O12S2Si2 and a molecular weight of 1662.30 g/mol. Its IUPAC name is 5-ethyl-1'-methylspiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaene-7,4'-piperidine]-6-one;2-[5-ethyl-7-(2-methylsulfonyloxyethyl)-6-oxo-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-7-yl]ethyl methanesulfonate;5-ethyl-1'-methyl-15-(2-trimethylsilylethoxymethyl)spiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaene-7,4'-piperidine]-6-one;oxolane.

Molecular Properties

• Compound Name: 5-ethyl-1'-methylspiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaene-7,4'-piperidine]-6-one;2-[5-ethyl-7-(2-methylsulfonyloxyethyl)-6-oxo-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-7-yl]ethyl methanesulfonate;5-ethyl-1'-methyl-15-(2-trimethylsilylethoxymethyl)spiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaene-7,4'-piperidine]-6-one;oxolane
• PubChem CID: 159752508
• Molecular Formula: C86H120N14O12S2Si2
• Molecular Weight: 1662.30 g/mol
• Exact Mass: 1660.82
• IUPAC Name: 5-ethyl-1'-methylspiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaene-7,4'-piperidine]-6-one;2-[5-ethyl-7-(2-methylsulfonyloxyethyl)-6-oxo-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-7-yl]ethyl methanesulfonate;5-ethyl-1'-methyl-15-(2-trimethylsilylethoxymethyl)spiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaene-7,4'-piperidine]-6-one;oxolane
• SMILES: C1CCOC1.CCN1C(=O)C(CCOS(C)(=O)=O)(CCOS(C)(=O)=O)c2cc3[nH]c4c(c3cc21)CCCc1cn(COCC[Si](C)(C)C)nc1-4.CCN1C(=O)C2(CCN(C)CC2)c2cc3[nH]c4c(c3cc21)CCCc1cn(COCC[Si](C)(C)C)nc1-4.CCN1C(=O)C2(CCN(C)CC2)c2cc3[nH]c4c(c3cc21)CCCc1cn[nH]c1-4
• InChI: InChI=1S/C30H44N4O8S2Si.C29H41N5O2Si.C23H27N5O.C4H8O/c1-7-34-26-17-23-22-10-8-9-21-19-33(20-40-15-16-45(4,5)6)32-27(21)28(22)31-25(23)18-24(26)30(29(34)35,11-13-41-43(2,36)37)12-14-42-44(3,38)39;1-6-34-25-16-22-21-9-7-8-20-18-33(19-36-14-15-37(3,4)5)31-26(20)27(21)30-24(22)17-23(25)29(28(34)35)10-12-32(2)13-11-29;1-3-28-19-11-16-15-6-4-5-14-13-24-26-20(14)21(15)25-18(16)12-17(19)23(22(28)29)7-9-27(2)10-8-23;1-2-4-5-3-1/h17-19,31H,7-16,20H2,1-6H3;16-18,30H,6-15,19H2,1-5H3;11-13,25H,3-10H2,1-2H3,(H,24,26);1-4H2
• InChIKey: NDVCDMMJIQLEEL-UHFFFAOYSA-N
• XLogP: 13.51
• TPSA: 293.53 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 21
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1662.30
LogP ≤ 5	13.51
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1'-methylspiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaene-7,4'-piperidine]-6-one;2-[5-ethyl-7-(2-methylsulfonyloxyethyl)-6-oxo-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-7-yl]ethyl methanesulfonate;5-ethyl-1'-methyl-15-(2-trimethylsilylethoxymethyl)spiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaene-7,4'-piperidine]-6-one;oxolane?

The IUPAC name of 5-ethyl-1'-methylspiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaene-7,4'-piperidine]-6-one;2-[5-ethyl-7-(2-methylsulfonyloxyethyl)-6-oxo-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-7-yl]ethyl methanesulfonate;5-ethyl-1'-methyl-15-(2-trimethylsilylethoxymethyl)spiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaene-7,4'-piperidine]-6-one;oxolane (CID 159752508) is 5-ethyl-1'-methylspiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaene-7,4'-piperidine]-6-one;2-[5-ethyl-7-(2-methylsulfonyloxyethyl)-6-oxo-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-7-yl]ethyl methanesulfonate;5-ethyl-1'-methyl-15-(2-trimethylsilylethoxymethyl)spiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaene-7,4'-piperidine]-6-one;oxolane.

What is the SMILES notation for 5-ethyl-1'-methylspiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaene-7,4'-piperidine]-6-one;2-[5-ethyl-7-(2-methylsulfonyloxyethyl)-6-oxo-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-7-yl]ethyl methanesulfonate;5-ethyl-1'-methyl-15-(2-trimethylsilylethoxymethyl)spiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaene-7,4'-piperidine]-6-one;oxolane?

The canonical SMILES for 5-ethyl-1'-methylspiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaene-7,4'-piperidine]-6-one;2-[5-ethyl-7-(2-methylsulfonyloxyethyl)-6-oxo-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-7-yl]ethyl methanesulfonate;5-ethyl-1'-methyl-15-(2-trimethylsilylethoxymethyl)spiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaene-7,4'-piperidine]-6-one;oxolane is C1CCOC1.CCN1C(=O)C(CCOS(C)(=O)=O)(CCOS(C)(=O)=O)c2cc3[nH]c4c(c3cc21)CCCc1cn(COCC[Si](C)(C)C)nc1-4.CCN1C(=O)C2(CCN(C)CC2)c2cc3[nH]c4c(c3cc21)CCCc1cn(COCC[Si](C)(C)C)nc1-4.CCN1C(=O)C2(CCN(C)CC2)c2cc3[nH]c4c(c3cc21)CCCc1cn[nH]c1-4.

What is the InChIKey of 5-ethyl-1'-methylspiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaene-7,4'-piperidine]-6-one;2-[5-ethyl-7-(2-methylsulfonyloxyethyl)-6-oxo-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-7-yl]ethyl methanesulfonate;5-ethyl-1'-methyl-15-(2-trimethylsilylethoxymethyl)spiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaene-7,4'-piperidine]-6-one;oxolane?

The InChIKey is NDVCDMMJIQLEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N4O8S2Si.C29H41N5O2Si.C23H27N5O.C4H8O/c1-7-34-26-17-23-22-10-8-9-21-19-33(20-40-15-16-45(4,5)6)32-27(21)28(22)31-25(23)18-24(26)30(29(34)35,11-13-41-43(2,36)37)12-14-42-44(3,38)39;1-6-34-25-16-22-21-9-7-8-20-18-33(19-36-14-15-37(3,4)5)31-26(20)27(21)30-24(22)17-23(25)29(28(34)35)10-12-32(2)13-11-29;1-3-28-19-11-16-15-6-4-5-14-13-24-26-20(14)21(15)25-18(16)12-17(19)23(22(28)29)7-9-27(2)10-8-23;1-2-4-5-3-1/h17-19,31H,7-16,20H2,1-6H3;16-18,30H,6-15,19H2,1-5H3;11-13,25H,3-10H2,1-2H3,(H,24,26);1-4H2.

What are the key properties of 5-ethyl-1'-methylspiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaene-7,4'-piperidine]-6-one;2-[5-ethyl-7-(2-methylsulfonyloxyethyl)-6-oxo-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-7-yl]ethyl methanesulfonate;5-ethyl-1'-methyl-15-(2-trimethylsilylethoxymethyl)spiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaene-7,4'-piperidine]-6-one;oxolane?

5-ethyl-1'-methylspiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaene-7,4'-piperidine]-6-one;2-[5-ethyl-7-(2-methylsulfonyloxyethyl)-6-oxo-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-7-yl]ethyl methanesulfonate;5-ethyl-1'-methyl-15-(2-trimethylsilylethoxymethyl)spiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaene-7,4'-piperidine]-6-one;oxolane has a molecular weight of 1662.30 g/mol, XLogP of 13.51, 21 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethyl-1'-methylspiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaene-7,4'-piperidine]-6-one;2-[5-ethyl-7-(2-methylsulfonyloxyethyl)-6-oxo-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-7-yl]ethyl methanesulfonate;5-ethyl-1'-methyl-15-(2-trimethylsilylethoxymethyl)spiro[5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaene-7,4'-piperidine]-6-one;oxolane is sourced from PubChem (CID 159752508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).