(E)-3-(4-aminophenyl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone;N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopentanecarboxamide;N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopropanecarboxamide;2,2,2-trifluoro-N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]acetamide

C108H111F6N11O13 — CID 159646432

About (E)-3-(4-aminophenyl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone;N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopentanecarboxamide;N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopropanecarboxamide;2,2,2-trifluoro-N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]acetamide

(E)-3-(4-aminophenyl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone;N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopentanecarboxamide;N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopropanecarboxamide;2,2,2-trifluoro-N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]acetamide (PubChem CID 159646432) has the molecular formula C108H111F6N11O13 and a molecular weight of 1885.13 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone;N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopentanecarboxamide;N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopropanecarboxamide;2,2,2-trifluoro-N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]acetamide.

Molecular Properties

• Compound Name: (E)-3-(4-aminophenyl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone;N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopentanecarboxamide;N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopropanecarboxamide;2,2,2-trifluoro-N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]acetamide
• PubChem CID: 159646432
• Molecular Formula: C108H111F6N11O13
• Molecular Weight: 1885.13 g/mol
• Exact Mass: 1883.83
• IUPAC Name: (E)-3-(4-aminophenyl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone;N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopentanecarboxamide;N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopropanecarboxamide;2,2,2-trifluoro-N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]acetamide
• SMILES: Cn1nc(C(F)(F)F)cc1C(=O)N1CCC2(CC1)OCc1ccccc12.Nc1ccc(/C=C/C(=O)N2CCC3(CC2)OCc2ccccc23)cc1.O=C(Nc1ccc(C(=O)N2CCC3(CC2)OCc2ccccc23)cc1)C1CC1.O=C(Nc1ccc(C(=O)N2CCC3(CC2)OCc2ccccc23)cc1)C1CCCC1.O=C(c1ccc(NC(=O)C(F)(F)F)cc1)N1CCC2(CC1)OCc1ccccc12
• InChI: InChI=1S/C25H28N2O3.C23H24N2O3.C21H19F3N2O3.C21H22N2O2.C18H18F3N3O2/c28-23(18-5-1-2-6-18)26-21-11-9-19(10-12-21)24(29)27-15-13-25(14-16-27)22-8-4-3-7-20(22)17-30-25;26-21(16-5-6-16)24-19-9-7-17(8-10-19)22(27)25-13-11-23(12-14-25)20-4-2-1-3-18(20)15-28-23;22-21(23,24)19(28)25-16-7-5-14(6-8-16)18(27)26-11-9-20(10-12-26)17-4-2-1-3-15(17)13-29-20;22-18-8-5-16(6-9-18)7-10-20(24)23-13-11-21(12-14-23)19-4-2-1-3-17(19)15-25-21;1-23-14(10-15(22-23)18(19,20)21)16(25)24-8-6-17(7-9-24)13-5-3-2-4-12(13)11-26-17/h3-4,7-12,18H,1-2,5-6,13-17H2,(H,26,28);1-4,7-10,16H,5-6,11-15H2,(H,24,26);1-8H,9-13H2,(H,25,28);1-10H,11-15,22H2;2-5,10H,6-9,11H2,1H3/b;;;10-7+
• InChIKey: MRACVTVDZWANLA-DGKSZRIPSA-N
• XLogP: 18.45
• TPSA: 278.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1885.13
LogP ≤ 5	18.45
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone;N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopentanecarboxamide;N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopropanecarboxamide;2,2,2-trifluoro-N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]acetamide?

The IUPAC name of (E)-3-(4-aminophenyl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone;N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopentanecarboxamide;N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopropanecarboxamide;2,2,2-trifluoro-N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]acetamide (CID 159646432) is (E)-3-(4-aminophenyl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone;N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopentanecarboxamide;N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopropanecarboxamide;2,2,2-trifluoro-N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]acetamide.

What is the SMILES notation for (E)-3-(4-aminophenyl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone;N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopentanecarboxamide;N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopropanecarboxamide;2,2,2-trifluoro-N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]acetamide?

The canonical SMILES for (E)-3-(4-aminophenyl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone;N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopentanecarboxamide;N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopropanecarboxamide;2,2,2-trifluoro-N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]acetamide is Cn1nc(C(F)(F)F)cc1C(=O)N1CCC2(CC1)OCc1ccccc12.Nc1ccc(/C=C/C(=O)N2CCC3(CC2)OCc2ccccc23)cc1.O=C(Nc1ccc(C(=O)N2CCC3(CC2)OCc2ccccc23)cc1)C1CC1.O=C(Nc1ccc(C(=O)N2CCC3(CC2)OCc2ccccc23)cc1)C1CCCC1.O=C(c1ccc(NC(=O)C(F)(F)F)cc1)N1CCC2(CC1)OCc1ccccc12.

What is the InChIKey of (E)-3-(4-aminophenyl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone;N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopentanecarboxamide;N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopropanecarboxamide;2,2,2-trifluoro-N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]acetamide?

The InChIKey is MRACVTVDZWANLA-DGKSZRIPSA-N. The full InChI is InChI=1S/C25H28N2O3.C23H24N2O3.C21H19F3N2O3.C21H22N2O2.C18H18F3N3O2/c28-23(18-5-1-2-6-18)26-21-11-9-19(10-12-21)24(29)27-15-13-25(14-16-27)22-8-4-3-7-20(22)17-30-25;26-21(16-5-6-16)24-19-9-7-17(8-10-19)22(27)25-13-11-23(12-14-25)20-4-2-1-3-18(20)15-28-23;22-21(23,24)19(28)25-16-7-5-14(6-8-16)18(27)26-11-9-20(10-12-26)17-4-2-1-3-15(17)13-29-20;22-18-8-5-16(6-9-18)7-10-20(24)23-13-11-21(12-14-23)19-4-2-1-3-17(19)15-25-21;1-23-14(10-15(22-23)18(19,20)21)16(25)24-8-6-17(7-9-24)13-5-3-2-4-12(13)11-26-17/h3-4,7-12,18H,1-2,5-6,13-17H2,(H,26,28);1-4,7-10,16H,5-6,11-15H2,(H,24,26);1-8H,9-13H2,(H,25,28);1-10H,11-15,22H2;2-5,10H,6-9,11H2,1H3/b;;;10-7+;.

What are the key properties of (E)-3-(4-aminophenyl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone;N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopentanecarboxamide;N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopropanecarboxamide;2,2,2-trifluoro-N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]acetamide?

(E)-3-(4-aminophenyl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone;N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopentanecarboxamide;N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopropanecarboxamide;2,2,2-trifluoro-N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]acetamide has a molecular weight of 1885.13 g/mol, XLogP of 18.45, 11 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-(4-aminophenyl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylprop-2-en-1-one;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone;N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopentanecarboxamide;N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]cyclopropanecarboxamide;2,2,2-trifluoro-N-[4-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)phenyl]acetamide is sourced from PubChem (CID 159646432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).