[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[5-(3-methoxyphenyl)furan-2-yl]methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-phenyl-3-pyridinyl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-thiophen-2-yl-3-pyridinyl)methanone

C73H74N8O8S — CID 159243506

About [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[5-(3-methoxyphenyl)furan-2-yl]methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-phenyl-3-pyridinyl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-thiophen-2-yl-3-pyridinyl)methanone

[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[5-(3-methoxyphenyl)furan-2-yl]methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-phenyl-3-pyridinyl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-thiophen-2-yl-3-pyridinyl)methanone (PubChem CID 159243506) has the molecular formula C73H74N8O8S and a molecular weight of 1223.51 g/mol. Its IUPAC name is [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[5-(3-methoxyphenyl)furan-2-yl]methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-phenyl-3-pyridinyl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-thiophen-2-yl-3-pyridinyl)methanone.

Molecular Properties

• Compound Name: [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[5-(3-methoxyphenyl)furan-2-yl]methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-phenyl-3-pyridinyl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-thiophen-2-yl-3-pyridinyl)methanone
• PubChem CID: 159243506
• Molecular Formula: C73H74N8O8S
• Molecular Weight: 1223.51 g/mol
• Exact Mass: 1222.54
• IUPAC Name: [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[5-(3-methoxyphenyl)furan-2-yl]methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-phenyl-3-pyridinyl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-thiophen-2-yl-3-pyridinyl)methanone
• SMILES: COc1cccc(-c2ccc(C(=O)N3CCC4(CC3)COc3ccc(CN)cc34)o2)c1.NCc1ccc2c(c1)C1(CCN(C(=O)c3cncc(-c4ccccc4)c3)CC1)CO2.NCc1ccc2c(c1)C1(CCN(C(=O)c3cncc(-c4cccs4)c3)CC1)CO2
• InChI: InChI=1S/C25H25N3O2.C25H26N2O4.C23H23N3O2S/c26-14-18-6-7-23-22(12-18)25(17-30-23)8-10-28(11-9-25)24(29)21-13-20(15-27-16-21)19-4-2-1-3-5-19;1-29-19-4-2-3-18(14-19)21-7-8-23(31-21)24(28)27-11-9-25(10-12-27)16-30-22-6-5-17(15-26)13-20(22)25;24-12-16-3-4-20-19(10-16)23(15-28-20)5-7-26(8-6-23)22(27)18-11-17(13-25-14-18)21-2-1-9-29-21/h1-7,12-13,15-16H,8-11,14,17,26H2;2-8,13-14H,9-12,15-16,26H2,1H3;1-4,9-11,13-14H,5-8,12,15,24H2
• InChIKey: KUJVOPOIOQGGLU-UHFFFAOYSA-N
• XLogP: 11.59
• TPSA: 214.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1223.51
LogP ≤ 5	11.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[5-(3-methoxyphenyl)furan-2-yl]methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-phenyl-3-pyridinyl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-thiophen-2-yl-3-pyridinyl)methanone?

The IUPAC name of [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[5-(3-methoxyphenyl)furan-2-yl]methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-phenyl-3-pyridinyl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-thiophen-2-yl-3-pyridinyl)methanone (CID 159243506) is [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[5-(3-methoxyphenyl)furan-2-yl]methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-phenyl-3-pyridinyl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-thiophen-2-yl-3-pyridinyl)methanone.

What is the SMILES notation for [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[5-(3-methoxyphenyl)furan-2-yl]methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-phenyl-3-pyridinyl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-thiophen-2-yl-3-pyridinyl)methanone?

The canonical SMILES for [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[5-(3-methoxyphenyl)furan-2-yl]methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-phenyl-3-pyridinyl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-thiophen-2-yl-3-pyridinyl)methanone is COc1cccc(-c2ccc(C(=O)N3CCC4(CC3)COc3ccc(CN)cc34)o2)c1.NCc1ccc2c(c1)C1(CCN(C(=O)c3cncc(-c4ccccc4)c3)CC1)CO2.NCc1ccc2c(c1)C1(CCN(C(=O)c3cncc(-c4cccs4)c3)CC1)CO2.

What is the InChIKey of [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[5-(3-methoxyphenyl)furan-2-yl]methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-phenyl-3-pyridinyl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-thiophen-2-yl-3-pyridinyl)methanone?

The InChIKey is KUJVOPOIOQGGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2.C25H26N2O4.C23H23N3O2S/c26-14-18-6-7-23-22(12-18)25(17-30-23)8-10-28(11-9-25)24(29)21-13-20(15-27-16-21)19-4-2-1-3-5-19;1-29-19-4-2-3-18(14-19)21-7-8-23(31-21)24(28)27-11-9-25(10-12-27)16-30-22-6-5-17(15-26)13-20(22)25;24-12-16-3-4-20-19(10-16)23(15-28-20)5-7-26(8-6-23)22(27)18-11-17(13-25-14-18)21-2-1-9-29-21/h1-7,12-13,15-16H,8-11,14,17,26H2;2-8,13-14H,9-12,15-16,26H2,1H3;1-4,9-11,13-14H,5-8,12,15,24H2.

What are the key properties of [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[5-(3-methoxyphenyl)furan-2-yl]methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-phenyl-3-pyridinyl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-thiophen-2-yl-3-pyridinyl)methanone?

[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[5-(3-methoxyphenyl)furan-2-yl]methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-phenyl-3-pyridinyl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-thiophen-2-yl-3-pyridinyl)methanone has a molecular weight of 1223.51 g/mol, XLogP of 11.59, 10 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[5-(3-methoxyphenyl)furan-2-yl]methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-phenyl-3-pyridinyl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-thiophen-2-yl-3-pyridinyl)methanone is sourced from PubChem (CID 159243506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).