(E)-3-(furan-3-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;1H-indol-3-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone;(E)-3-pyridin-2-yl-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;(E)-3-quinolin-3-yl-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;(E)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-3-thiophen-2-ylprop-2-en-1-one;(E)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-3-thiophen-3-ylprop-2-en-1-one

C122H119N9O13S2 — CID 159084353

About (E)-3-(furan-3-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;1H-indol-3-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone;(E)-3-pyridin-2-yl-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;(E)-3-quinolin-3-yl-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;(E)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-3-thiophen-2-ylprop-2-en-1-one;(E)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-3-thiophen-3-ylprop-2-en-1-one

(E)-3-(furan-3-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;1H-indol-3-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone;(E)-3-pyridin-2-yl-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;(E)-3-quinolin-3-yl-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;(E)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-3-thiophen-2-ylprop-2-en-1-one;(E)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-3-thiophen-3-ylprop-2-en-1-one (PubChem CID 159084353) has the molecular formula C122H119N9O13S2 and a molecular weight of 1983.48 g/mol. Its IUPAC name is (E)-3-(furan-3-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;1H-indol-3-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone;(E)-3-pyridin-2-yl-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;(E)-3-quinolin-3-yl-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;(E)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-3-thiophen-2-ylprop-2-en-1-one;(E)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-3-thiophen-3-ylprop-2-en-1-one.

Molecular Properties

• Compound Name: (E)-3-(furan-3-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;1H-indol-3-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone;(E)-3-pyridin-2-yl-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;(E)-3-quinolin-3-yl-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;(E)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-3-thiophen-2-ylprop-2-en-1-one;(E)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-3-thiophen-3-ylprop-2-en-1-one
• PubChem CID: 159084353
• Molecular Formula: C122H119N9O13S2
• Molecular Weight: 1983.48 g/mol
• Exact Mass: 1981.84
• IUPAC Name: (E)-3-(furan-3-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;1H-indol-3-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone;(E)-3-pyridin-2-yl-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;(E)-3-quinolin-3-yl-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;(E)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-3-thiophen-2-ylprop-2-en-1-one;(E)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-3-thiophen-3-ylprop-2-en-1-one
• SMILES: O=C(/C=C/c1ccccn1)N1CCC2(CC1)OCc1ccccc12.O=C(/C=C/c1cccs1)N1CCC2(CC1)OCc1ccccc12.O=C(/C=C/c1ccoc1)N1CCC2(CC1)OCc1ccccc12.O=C(/C=C/c1ccsc1)N1CCC2(CC1)OCc1ccccc12.O=C(/C=C/c1cnc2ccccc2c1)N1CCC2(CC1)OCc1ccccc12.O=C(c1c[nH]c2ccccc12)N1CCC2(CC1)OCc1ccccc12
• InChI: InChI=1S/C24H22N2O2.C21H20N2O2.C20H20N2O2.C19H19NO3.2C19H19NO2S/c27-23(10-9-18-15-19-5-2-4-8-22(19)25-16-18)26-13-11-24(12-14-26)21-7-3-1-6-20(21)17-28-24;24-20(17-13-22-19-8-4-2-6-16(17)19)23-11-9-21(10-12-23)18-7-3-1-5-15(18)14-25-21;23-19(9-8-17-6-3-4-12-21-17)22-13-10-20(11-14-22)18-7-2-1-5-16(18)15-24-20;21-18(6-5-15-7-12-22-13-15)20-10-8-19(9-11-20)17-4-2-1-3-16(17)14-23-19;21-18(8-7-16-5-3-13-23-16)20-11-9-19(10-12-20)17-6-2-1-4-15(17)14-22-19;21-18(6-5-15-7-12-23-14-15)20-10-8-19(9-11-20)17-4-2-1-3-16(17)13-22-19/h1-10,15-16H,11-14,17H2;1-8,13,22H,9-12,14H2;1-9,12H,10-11,13-15H2;1-7,12-13H,8-11,14H2;1-8,13H,9-12,14H2;1-7,12,14H,8-11,13H2/b10-9+;;9-8+;6-5+;8-7+;6-5+
• InChIKey: KBGILAIYSXJNCH-CVMYMCBGSA-N
• XLogP: 22.23
• TPSA: 231.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 11
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1983.48
LogP ≤ 5	22.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-3-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;1H-indol-3-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone;(E)-3-pyridin-2-yl-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;(E)-3-quinolin-3-yl-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;(E)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-3-thiophen-2-ylprop-2-en-1-one;(E)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-3-thiophen-3-ylprop-2-en-1-one?

The IUPAC name of (E)-3-(furan-3-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;1H-indol-3-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone;(E)-3-pyridin-2-yl-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;(E)-3-quinolin-3-yl-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;(E)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-3-thiophen-2-ylprop-2-en-1-one;(E)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-3-thiophen-3-ylprop-2-en-1-one (CID 159084353) is (E)-3-(furan-3-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;1H-indol-3-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone;(E)-3-pyridin-2-yl-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;(E)-3-quinolin-3-yl-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;(E)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-3-thiophen-2-ylprop-2-en-1-one;(E)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-3-thiophen-3-ylprop-2-en-1-one.

What is the SMILES notation for (E)-3-(furan-3-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;1H-indol-3-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone;(E)-3-pyridin-2-yl-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;(E)-3-quinolin-3-yl-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;(E)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-3-thiophen-2-ylprop-2-en-1-one;(E)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-3-thiophen-3-ylprop-2-en-1-one?

The canonical SMILES for (E)-3-(furan-3-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;1H-indol-3-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone;(E)-3-pyridin-2-yl-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;(E)-3-quinolin-3-yl-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;(E)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-3-thiophen-2-ylprop-2-en-1-one;(E)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-3-thiophen-3-ylprop-2-en-1-one is O=C(/C=C/c1ccccn1)N1CCC2(CC1)OCc1ccccc12.O=C(/C=C/c1cccs1)N1CCC2(CC1)OCc1ccccc12.O=C(/C=C/c1ccoc1)N1CCC2(CC1)OCc1ccccc12.O=C(/C=C/c1ccsc1)N1CCC2(CC1)OCc1ccccc12.O=C(/C=C/c1cnc2ccccc2c1)N1CCC2(CC1)OCc1ccccc12.O=C(c1c[nH]c2ccccc12)N1CCC2(CC1)OCc1ccccc12.

What is the InChIKey of (E)-3-(furan-3-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;1H-indol-3-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone;(E)-3-pyridin-2-yl-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;(E)-3-quinolin-3-yl-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;(E)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-3-thiophen-2-ylprop-2-en-1-one;(E)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-3-thiophen-3-ylprop-2-en-1-one?

The InChIKey is KBGILAIYSXJNCH-CVMYMCBGSA-N. The full InChI is InChI=1S/C24H22N2O2.C21H20N2O2.C20H20N2O2.C19H19NO3.2C19H19NO2S/c27-23(10-9-18-15-19-5-2-4-8-22(19)25-16-18)26-13-11-24(12-14-26)21-7-3-1-6-20(21)17-28-24;24-20(17-13-22-19-8-4-2-6-16(17)19)23-11-9-21(10-12-23)18-7-3-1-5-15(18)14-25-21;23-19(9-8-17-6-3-4-12-21-17)22-13-10-20(11-14-22)18-7-2-1-5-16(18)15-24-20;21-18(6-5-15-7-12-22-13-15)20-10-8-19(9-11-20)17-4-2-1-3-16(17)14-23-19;21-18(8-7-16-5-3-13-23-16)20-11-9-19(10-12-20)17-6-2-1-4-15(17)14-22-19;21-18(6-5-15-7-12-23-14-15)20-10-8-19(9-11-20)17-4-2-1-3-16(17)13-22-19/h1-10,15-16H,11-14,17H2;1-8,13,22H,9-12,14H2;1-9,12H,10-11,13-15H2;1-7,12-13H,8-11,14H2;1-8,13H,9-12,14H2;1-7,12,14H,8-11,13H2/b10-9+;;9-8+;6-5+;8-7+;6-5+.

What are the key properties of (E)-3-(furan-3-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;1H-indol-3-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone;(E)-3-pyridin-2-yl-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;(E)-3-quinolin-3-yl-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;(E)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-3-thiophen-2-ylprop-2-en-1-one;(E)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-3-thiophen-3-ylprop-2-en-1-one?

(E)-3-(furan-3-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;1H-indol-3-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone;(E)-3-pyridin-2-yl-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;(E)-3-quinolin-3-yl-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;(E)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-3-thiophen-2-ylprop-2-en-1-one;(E)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-3-thiophen-3-ylprop-2-en-1-one has a molecular weight of 1983.48 g/mol, XLogP of 22.23, 11 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-(furan-3-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;1H-indol-3-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone;(E)-3-pyridin-2-yl-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;(E)-3-quinolin-3-yl-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;(E)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-3-thiophen-2-ylprop-2-en-1-one;(E)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-3-thiophen-3-ylprop-2-en-1-one is sourced from PubChem (CID 159084353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).