[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[5-[2-(2,5-dimethylphenyl)ethynyl]furan-2-yl]methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[5-[2-(2-methoxyphenyl)ethynyl]furan-2-yl]methanone

C82H84N6O11 — CID 160857643

About [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[5-[2-(2,5-dimethylphenyl)ethynyl]furan-2-yl]methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[5-[2-(2-methoxyphenyl)ethynyl]furan-2-yl]methanone

[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[5-[2-(2,5-dimethylphenyl)ethynyl]furan-2-yl]methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[5-[2-(2-methoxyphenyl)ethynyl]furan-2-yl]methanone (PubChem CID 160857643) has the molecular formula C82H84N6O11 and a molecular weight of 1329.60 g/mol. Its IUPAC name is [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[5-[2-(2,5-dimethylphenyl)ethynyl]furan-2-yl]methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[5-[2-(2-methoxyphenyl)ethynyl]furan-2-yl]methanone.

Molecular Properties

• Compound Name: [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[5-[2-(2,5-dimethylphenyl)ethynyl]furan-2-yl]methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[5-[2-(2-methoxyphenyl)ethynyl]furan-2-yl]methanone
• PubChem CID: 160857643
• Molecular Formula: C82H84N6O11
• Molecular Weight: 1329.60 g/mol
• Exact Mass: 1328.62
• IUPAC Name: [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[5-[2-(2,5-dimethylphenyl)ethynyl]furan-2-yl]methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[5-[2-(2-methoxyphenyl)ethynyl]furan-2-yl]methanone
• SMILES: COc1ccccc1C#Cc1ccc(C(=O)N2CCC3(CC2)COc2ccc(CN)cc23)o1.Cc1ccc(C)c(C#Cc2ccc(C(=O)N3CCC4(CC3)COc3ccc(CN)cc34)o2)c1.Cc1ccc(C)c(OCc2ccc(C(=O)N3CCC4(CC3)COc3ccc(CN)cc34)o2)c1
• InChI: InChI=1S/C28H28N2O3.C27H30N2O4.C27H26N2O4/c1-19-3-4-20(2)22(15-19)6-7-23-8-10-26(33-23)27(31)30-13-11-28(12-14-30)18-32-25-9-5-21(17-29)16-24(25)28;1-18-3-4-19(2)25(13-18)31-16-21-6-8-24(33-21)26(30)29-11-9-27(10-12-29)17-32-23-7-5-20(15-28)14-22(23)27;1-31-23-5-3-2-4-20(23)7-8-21-9-11-25(33-21)26(30)29-14-12-27(13-15-29)18-32-24-10-6-19(17-28)16-22(24)27/h3-5,8-10,15-16H,11-14,17-18,29H2,1-2H3;3-8,13-14H,9-12,15-17,28H2,1-2H3;2-6,9-11,16H,12-15,17-18,28H2,1H3
• InChIKey: SKBKVWSJYRTELX-UHFFFAOYSA-N
• XLogP: 12.53
• TPSA: 224.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1329.60
LogP ≤ 5	12.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[5-[2-(2,5-dimethylphenyl)ethynyl]furan-2-yl]methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[5-[2-(2-methoxyphenyl)ethynyl]furan-2-yl]methanone (CID 160857643) is [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[5-[2-(2,5-dimethylphenyl)ethynyl]furan-2-yl]methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[5-[2-(2-methoxyphenyl)ethynyl]furan-2-yl]methanone.

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

The canonical SMILES for [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[5-[2-(2,5-dimethylphenyl)ethynyl]furan-2-yl]methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[5-[2-(2-methoxyphenyl)ethynyl]furan-2-yl]methanone is COc1ccccc1C#Cc1ccc(C(=O)N2CCC3(CC2)COc2ccc(CN)cc23)o1.Cc1ccc(C)c(C#Cc2ccc(C(=O)N3CCC4(CC3)COc3ccc(CN)cc34)o2)c1.Cc1ccc(C)c(OCc2ccc(C(=O)N3CCC4(CC3)COc3ccc(CN)cc34)o2)c1.

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

The InChIKey is SKBKVWSJYRTELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O3.C27H30N2O4.C27H26N2O4/c1-19-3-4-20(2)22(15-19)6-7-23-8-10-26(33-23)27(31)30-13-11-28(12-14-30)18-32-25-9-5-21(17-29)16-24(25)28;1-18-3-4-19(2)25(13-18)31-16-21-6-8-24(33-21)26(30)29-11-9-27(10-12-29)17-32-23-7-5-20(15-28)14-22(23)27;1-31-23-5-3-2-4-20(23)7-8-21-9-11-25(33-21)26(30)29-14-12-27(13-15-29)18-32-24-10-6-19(17-28)16-22(24)27/h3-5,8-10,15-16H,11-14,17-18,29H2,1-2H3;3-8,13-14H,9-12,15-17,28H2,1-2H3;2-6,9-11,16H,12-15,17-18,28H2,1H3.

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

[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[5-[2-(2,5-dimethylphenyl)ethynyl]furan-2-yl]methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[5-[2-(2-methoxyphenyl)ethynyl]furan-2-yl]methanone has a molecular weight of 1329.60 g/mol, XLogP of 12.53, 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-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[5-[2-(2,5-dimethylphenyl)ethynyl]furan-2-yl]methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[5-[2-(2-methoxyphenyl)ethynyl]furan-2-yl]methanone is sourced from PubChem (CID 160857643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).