1-benzothiophen-3-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone;(E)-3-(furan-2-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;1H-indazol-3-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone;(E)-3-(1H-indol-3-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;(E)-3-naphthalen-1-yl-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;4-[(E)-3-oxo-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-1-enyl]benzonitrile

C130H122N10O13S — CID 161193453

About 1-benzothiophen-3-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone;(E)-3-(furan-2-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;1H-indazol-3-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone;(E)-3-(1H-indol-3-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;(E)-3-naphthalen-1-yl-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;4-[(E)-3-oxo-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-1-enyl]benzonitrile

1-benzothiophen-3-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone;(E)-3-(furan-2-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;1H-indazol-3-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone;(E)-3-(1H-indol-3-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;(E)-3-naphthalen-1-yl-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;4-[(E)-3-oxo-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-1-enyl]benzonitrile (PubChem CID 161193453) has the molecular formula C130H122N10O13S and a molecular weight of 2064.53 g/mol. Its IUPAC name is 1-benzothiophen-3-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone;(E)-3-(furan-2-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;1H-indazol-3-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone;(E)-3-(1H-indol-3-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;(E)-3-naphthalen-1-yl-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;4-[(E)-3-oxo-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-1-enyl]benzonitrile.

Molecular Properties

• Compound Name: 1-benzothiophen-3-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone;(E)-3-(furan-2-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;1H-indazol-3-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone;(E)-3-(1H-indol-3-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;(E)-3-naphthalen-1-yl-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;4-[(E)-3-oxo-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-1-enyl]benzonitrile
• PubChem CID: 161193453
• Molecular Formula: C130H122N10O13S
• Molecular Weight: 2064.53 g/mol
• Exact Mass: 2062.89
• IUPAC Name: 1-benzothiophen-3-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone;(E)-3-(furan-2-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;1H-indazol-3-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone;(E)-3-(1H-indol-3-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;(E)-3-naphthalen-1-yl-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;4-[(E)-3-oxo-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-1-enyl]benzonitrile
• SMILES: N#Cc1ccc(/C=C/C(=O)N2CCC3(CC2)OCc2ccccc23)cc1.O=C(/C=C/c1c[nH]c2ccccc12)N1CCC2(CC1)OCc1ccccc12.O=C(/C=C/c1cccc2ccccc12)N1CCC2(CC1)OCc1ccccc12.O=C(/C=C/c1ccco1)N1CCC2(CC1)OCc1ccccc12.O=C(c1csc2ccccc12)N1CCC2(CC1)OCc1ccccc12.O=C(c1n[nH]c2ccccc12)N1CCC2(CC1)OCc1ccccc12
• InChI: InChI=1S/C25H23NO2.C23H22N2O2.C22H20N2O2.C21H19NO2S.C20H19N3O2.C19H19NO3/c27-24(13-12-20-9-5-8-19-6-1-3-10-22(19)20)26-16-14-25(15-17-26)23-11-4-2-7-21(23)18-28-25;26-22(10-9-17-15-24-21-8-4-2-6-19(17)21)25-13-11-23(12-14-25)20-7-3-1-5-18(20)16-27-23;23-15-18-7-5-17(6-8-18)9-10-21(25)24-13-11-22(12-14-24)20-4-2-1-3-19(20)16-26-22;23-20(17-14-25-19-8-4-2-6-16(17)19)22-11-9-21(10-12-22)18-7-3-1-5-15(18)13-24-21;24-19(18-15-6-2-4-8-17(15)21-22-18)23-11-9-20(10-12-23)16-7-3-1-5-14(16)13-25-20;21-18(8-7-16-5-3-13-22-16)20-11-9-19(10-12-20)17-6-2-1-4-15(17)14-23-19/h1-13H,14-18H2;1-10,15,24H,11-14,16H2;1-10H,11-14,16H2;1-8,14H,9-13H2;1-8H,9-13H2,(H,21,22);1-8,13H,9-12,14H2/b13-12+;2*10-9+;;;8-7+
• InChIKey: UUAJULZLCHXWBO-GTUOTQSISA-N
• XLogP: 23.88
• TPSA: 258.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2064.53
LogP ≤ 5	23.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone;(E)-3-(furan-2-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;1H-indazol-3-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone;(E)-3-(1H-indol-3-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;(E)-3-naphthalen-1-yl-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;4-[(E)-3-oxo-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-1-enyl]benzonitrile?

The IUPAC name of 1-benzothiophen-3-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone;(E)-3-(furan-2-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;1H-indazol-3-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone;(E)-3-(1H-indol-3-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;(E)-3-naphthalen-1-yl-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;4-[(E)-3-oxo-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-1-enyl]benzonitrile (CID 161193453) is 1-benzothiophen-3-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone;(E)-3-(furan-2-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;1H-indazol-3-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone;(E)-3-(1H-indol-3-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;(E)-3-naphthalen-1-yl-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;4-[(E)-3-oxo-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-1-enyl]benzonitrile.

What is the SMILES notation for 1-benzothiophen-3-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone;(E)-3-(furan-2-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;1H-indazol-3-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone;(E)-3-(1H-indol-3-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;(E)-3-naphthalen-1-yl-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;4-[(E)-3-oxo-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-1-enyl]benzonitrile?

The canonical SMILES for 1-benzothiophen-3-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone;(E)-3-(furan-2-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;1H-indazol-3-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone;(E)-3-(1H-indol-3-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;(E)-3-naphthalen-1-yl-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;4-[(E)-3-oxo-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-1-enyl]benzonitrile is N#Cc1ccc(/C=C/C(=O)N2CCC3(CC2)OCc2ccccc23)cc1.O=C(/C=C/c1c[nH]c2ccccc12)N1CCC2(CC1)OCc1ccccc12.O=C(/C=C/c1cccc2ccccc12)N1CCC2(CC1)OCc1ccccc12.O=C(/C=C/c1ccco1)N1CCC2(CC1)OCc1ccccc12.O=C(c1csc2ccccc12)N1CCC2(CC1)OCc1ccccc12.O=C(c1n[nH]c2ccccc12)N1CCC2(CC1)OCc1ccccc12.

What is the InChIKey of 1-benzothiophen-3-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone;(E)-3-(furan-2-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;1H-indazol-3-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone;(E)-3-(1H-indol-3-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;(E)-3-naphthalen-1-yl-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;4-[(E)-3-oxo-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-1-enyl]benzonitrile?

The InChIKey is UUAJULZLCHXWBO-GTUOTQSISA-N. The full InChI is InChI=1S/C25H23NO2.C23H22N2O2.C22H20N2O2.C21H19NO2S.C20H19N3O2.C19H19NO3/c27-24(13-12-20-9-5-8-19-6-1-3-10-22(19)20)26-16-14-25(15-17-26)23-11-4-2-7-21(23)18-28-25;26-22(10-9-17-15-24-21-8-4-2-6-19(17)21)25-13-11-23(12-14-25)20-7-3-1-5-18(20)16-27-23;23-15-18-7-5-17(6-8-18)9-10-21(25)24-13-11-22(12-14-24)20-4-2-1-3-19(20)16-26-22;23-20(17-14-25-19-8-4-2-6-16(17)19)22-11-9-21(10-12-22)18-7-3-1-5-15(18)13-24-21;24-19(18-15-6-2-4-8-17(15)21-22-18)23-11-9-20(10-12-23)16-7-3-1-5-14(16)13-25-20;21-18(8-7-16-5-3-13-22-16)20-11-9-19(10-12-20)17-6-2-1-4-15(17)14-23-19/h1-13H,14-18H2;1-10,15,24H,11-14,16H2;1-10H,11-14,16H2;1-8,14H,9-13H2;1-8H,9-13H2,(H,21,22);1-8,13H,9-12,14H2/b13-12+;2*10-9+;;;8-7+.

What are the key properties of 1-benzothiophen-3-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone;(E)-3-(furan-2-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;1H-indazol-3-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone;(E)-3-(1H-indol-3-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;(E)-3-naphthalen-1-yl-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;4-[(E)-3-oxo-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-1-enyl]benzonitrile?

1-benzothiophen-3-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone;(E)-3-(furan-2-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;1H-indazol-3-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone;(E)-3-(1H-indol-3-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;(E)-3-naphthalen-1-yl-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;4-[(E)-3-oxo-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-1-enyl]benzonitrile has a molecular weight of 2064.53 g/mol, XLogP of 23.88, 10 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzothiophen-3-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone;(E)-3-(furan-2-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;1H-indazol-3-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone;(E)-3-(1H-indol-3-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;(E)-3-naphthalen-1-yl-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;4-[(E)-3-oxo-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-1-enyl]benzonitrile is sourced from PubChem (CID 161193453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).