[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone

C67H69N11O6S2 — CID 160811162

About [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone

[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone (PubChem CID 160811162) has the molecular formula C67H69N11O6S2 and a molecular weight of 1188.49 g/mol. Its IUPAC name is [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone.

Molecular Properties

• Compound Name: [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone
• PubChem CID: 160811162
• Molecular Formula: C67H69N11O6S2
• Molecular Weight: 1188.49 g/mol
• Exact Mass: 1187.49
• IUPAC Name: [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone
• SMILES: Cc1ccc2nc(C(=O)N3CCC4(CC3)COc3ccc(CN)cc34)cn2c1.NCc1ccc2c(c1)C1(CCN(C(=O)c3ccc(-c4ccccn4)s3)CC1)CO2.NCc1ccc2c(c1)C1(CCN(C(=O)c3csc(-c4cccnc4)n3)CC1)CO2
• InChI: InChI=1S/C23H23N3O2S.C22H22N4O2S.C22H24N4O2/c24-14-16-4-5-19-17(13-16)23(15-28-19)8-11-26(12-9-23)22(27)21-7-6-20(29-21)18-3-1-2-10-25-18;23-11-15-3-4-19-17(10-15)22(14-28-19)5-8-26(9-6-22)21(27)18-13-29-20(25-18)16-2-1-7-24-12-16;1-15-2-5-20-24-18(13-26(20)12-15)21(27)25-8-6-22(7-9-25)14-28-19-4-3-16(11-23)10-17(19)22/h1-7,10,13H,8-9,11-12,14-15,24H2;1-4,7,10,12-13H,5-6,8-9,11,14,23H2;2-5,10,12-13H,6-9,11,14,23H2,1H3
• InChIKey: SEIIUFJGLWCBDD-UHFFFAOYSA-N
• XLogP: 9.73
• TPSA: 222.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1188.49
LogP ≤ 5	9.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone?

The IUPAC name of [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone (CID 160811162) is [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone.

What is the SMILES notation for [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone?

The canonical SMILES for [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone is Cc1ccc2nc(C(=O)N3CCC4(CC3)COc3ccc(CN)cc34)cn2c1.NCc1ccc2c(c1)C1(CCN(C(=O)c3ccc(-c4ccccn4)s3)CC1)CO2.NCc1ccc2c(c1)C1(CCN(C(=O)c3csc(-c4cccnc4)n3)CC1)CO2.

What is the InChIKey of [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone?

The InChIKey is SEIIUFJGLWCBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S.C22H22N4O2S.C22H24N4O2/c24-14-16-4-5-19-17(13-16)23(15-28-19)8-11-26(12-9-23)22(27)21-7-6-20(29-21)18-3-1-2-10-25-18;23-11-15-3-4-19-17(10-15)22(14-28-19)5-8-26(9-6-22)21(27)18-13-29-20(25-18)16-2-1-7-24-12-16;1-15-2-5-20-24-18(13-26(20)12-15)21(27)25-8-6-22(7-9-25)14-28-19-4-3-16(11-23)10-17(19)22/h1-7,10,13H,8-9,11-12,14-15,24H2;1-4,7,10,12-13H,5-6,8-9,11,14,23H2;2-5,10,12-13H,6-9,11,14,23H2,1H3.

What are the key properties of [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone?

[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone has a molecular weight of 1188.49 g/mol, XLogP of 9.73, 8 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone;[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone is sourced from PubChem (CID 160811162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).