[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(1-ethyl-7-methylindol-3-yl)methanone;(E)-1-[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-3-(furan-3-yl)prop-2-en-1-one;(E)-1-[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-3-pyridin-2-ylprop-2-en-1-one

C66H74N8O7 — CID 159577376

About [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(1-ethyl-7-methylindol-3-yl)methanone;(E)-1-[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-3-(furan-3-yl)prop-2-en-1-one;(E)-1-[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-3-pyridin-2-ylprop-2-en-1-one

[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(1-ethyl-7-methylindol-3-yl)methanone;(E)-1-[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-3-(furan-3-yl)prop-2-en-1-one;(E)-1-[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-3-pyridin-2-ylprop-2-en-1-one (PubChem CID 159577376) has the molecular formula C66H74N8O7 and a molecular weight of 1091.37 g/mol. Its IUPAC name is [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(1-ethyl-7-methylindol-3-yl)methanone;(E)-1-[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-3-(furan-3-yl)prop-2-en-1-one;(E)-1-[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-3-pyridin-2-ylprop-2-en-1-one.

Molecular Properties

• Compound Name: [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(1-ethyl-7-methylindol-3-yl)methanone;(E)-1-[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-3-(furan-3-yl)prop-2-en-1-one;(E)-1-[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-3-pyridin-2-ylprop-2-en-1-one
• PubChem CID: 159577376
• Molecular Formula: C66H74N8O7
• Molecular Weight: 1091.37 g/mol
• Exact Mass: 1090.57
• IUPAC Name: [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(1-ethyl-7-methylindol-3-yl)methanone;(E)-1-[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-3-(furan-3-yl)prop-2-en-1-one;(E)-1-[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-3-pyridin-2-ylprop-2-en-1-one
• SMILES: CCn1cc(C(=O)N2CCC3(CC2)COc2ccc(CN)cc23)c2cccc(C)c21.NCc1ccc2c(c1)C1(CCN(C(=O)/C=C/c3ccccn3)CC1)CO2.NCc1ccc2c(c1)C1(CCN(C(=O)/C=C/c3ccoc3)CC1)CO2
• InChI: InChI=1S/C25H29N3O2.C21H23N3O2.C20H22N2O3/c1-3-27-15-20(19-6-4-5-17(2)23(19)27)24(29)28-11-9-25(10-12-28)16-30-22-8-7-18(14-26)13-21(22)25;22-14-16-4-6-19-18(13-16)21(15-26-19)8-11-24(12-9-21)20(25)7-5-17-3-1-2-10-23-17;21-12-16-1-3-18-17(11-16)20(14-25-18)6-8-22(9-7-20)19(23)4-2-15-5-10-24-13-15/h4-8,13,15H,3,9-12,14,16,26H2,1-2H3;1-7,10,13H,8-9,11-12,14-15,22H2;1-5,10-11,13H,6-9,12,14,21H2/b;7-5+;4-2+
• InChIKey: MIOQYNYOFJOBQE-RPIOQCBCSA-N
• XLogP: 9.21
• TPSA: 197.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1091.37
LogP ≤ 5	9.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(1-ethyl-7-methylindol-3-yl)methanone;(E)-1-[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-3-(furan-3-yl)prop-2-en-1-one;(E)-1-[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-3-pyridin-2-ylprop-2-en-1-one?

The IUPAC name of [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(1-ethyl-7-methylindol-3-yl)methanone;(E)-1-[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-3-(furan-3-yl)prop-2-en-1-one;(E)-1-[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-3-pyridin-2-ylprop-2-en-1-one (CID 159577376) is [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(1-ethyl-7-methylindol-3-yl)methanone;(E)-1-[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-3-(furan-3-yl)prop-2-en-1-one;(E)-1-[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-3-pyridin-2-ylprop-2-en-1-one.

What is the SMILES notation for [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(1-ethyl-7-methylindol-3-yl)methanone;(E)-1-[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-3-(furan-3-yl)prop-2-en-1-one;(E)-1-[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-3-pyridin-2-ylprop-2-en-1-one?

The canonical SMILES for [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(1-ethyl-7-methylindol-3-yl)methanone;(E)-1-[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-3-(furan-3-yl)prop-2-en-1-one;(E)-1-[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-3-pyridin-2-ylprop-2-en-1-one is CCn1cc(C(=O)N2CCC3(CC2)COc2ccc(CN)cc23)c2cccc(C)c21.NCc1ccc2c(c1)C1(CCN(C(=O)/C=C/c3ccccn3)CC1)CO2.NCc1ccc2c(c1)C1(CCN(C(=O)/C=C/c3ccoc3)CC1)CO2.

What is the InChIKey of [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(1-ethyl-7-methylindol-3-yl)methanone;(E)-1-[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-3-(furan-3-yl)prop-2-en-1-one;(E)-1-[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-3-pyridin-2-ylprop-2-en-1-one?

The InChIKey is MIOQYNYOFJOBQE-RPIOQCBCSA-N. The full InChI is InChI=1S/C25H29N3O2.C21H23N3O2.C20H22N2O3/c1-3-27-15-20(19-6-4-5-17(2)23(19)27)24(29)28-11-9-25(10-12-28)16-30-22-8-7-18(14-26)13-21(22)25;22-14-16-4-6-19-18(13-16)21(15-26-19)8-11-24(12-9-21)20(25)7-5-17-3-1-2-10-23-17;21-12-16-1-3-18-17(11-16)20(14-25-18)6-8-22(9-7-20)19(23)4-2-15-5-10-24-13-15/h4-8,13,15H,3,9-12,14,16,26H2,1-2H3;1-7,10,13H,8-9,11-12,14-15,22H2;1-5,10-11,13H,6-9,12,14,21H2/b;7-5+;4-2+.

What are the key properties of [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(1-ethyl-7-methylindol-3-yl)methanone;(E)-1-[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-3-(furan-3-yl)prop-2-en-1-one;(E)-1-[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-3-pyridin-2-ylprop-2-en-1-one?

[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(1-ethyl-7-methylindol-3-yl)methanone;(E)-1-[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-3-(furan-3-yl)prop-2-en-1-one;(E)-1-[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-3-pyridin-2-ylprop-2-en-1-one has a molecular weight of 1091.37 g/mol, XLogP of 9.21, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-(1-ethyl-7-methylindol-3-yl)methanone;(E)-1-[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-3-(furan-3-yl)prop-2-en-1-one;(E)-1-[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-3-pyridin-2-ylprop-2-en-1-one is sourced from PubChem (CID 159577376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).