bis((1-ethyl-4-methoxy-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-yl)-piperidin-1-ylmethanone);(1-ethyl-4-methoxy-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-yl)-pyrrolidin-1-ylmethanone;(4-methoxy-1-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl)-piperidin-1-ylmethanone

C84H112N8O8 — CID 162193028

About bis((1-ethyl-4-methoxy-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-yl)-piperidin-1-ylmethanone);(1-ethyl-4-methoxy-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-yl)-pyrrolidin-1-ylmethanone;(4-methoxy-1-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl)-piperidin-1-ylmethanone

bis((1-ethyl-4-methoxy-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-yl)-piperidin-1-ylmethanone);(1-ethyl-4-methoxy-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-yl)-pyrrolidin-1-ylmethanone;(4-methoxy-1-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl)-piperidin-1-ylmethanone (PubChem CID 162193028) has the molecular formula C84H112N8O8 and a molecular weight of 1361.87 g/mol. Its IUPAC name is bis((1-ethyl-4-methoxy-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-yl)-piperidin-1-ylmethanone);(1-ethyl-4-methoxy-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-yl)-pyrrolidin-1-ylmethanone;(4-methoxy-1-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl)-piperidin-1-ylmethanone.

Molecular Properties

• Compound Name: bis((1-ethyl-4-methoxy-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-yl)-piperidin-1-ylmethanone);(1-ethyl-4-methoxy-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-yl)-pyrrolidin-1-ylmethanone;(4-methoxy-1-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl)-piperidin-1-ylmethanone
• PubChem CID: 162193028
• Molecular Formula: C84H112N8O8
• Molecular Weight: 1361.87 g/mol
• Exact Mass: 1360.86
• IUPAC Name: bis((1-ethyl-4-methoxy-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-yl)-piperidin-1-ylmethanone);(1-ethyl-4-methoxy-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-yl)-pyrrolidin-1-ylmethanone;(4-methoxy-1-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl)-piperidin-1-ylmethanone
• SMILES: CCC12CC(Cc3ccc(OC)cc31)N(C(=O)N1CCCC1)C2.CCC12CC(Cc3ccc(OC)cc31)N(C(=O)N1CCCCC1)C2.CCC12CC(Cc3ccc(OC)cc31)N(C(=O)N1CCCCC1)C2.COc1ccc2c(c1)C1(c3ccccc3)CCN(C(=O)N3CCCCC3)C(C2)C1
• InChI: InChI=1S/C25H30N2O2.2C20H28N2O2.C19H26N2O2/c1-29-22-11-10-19-16-21-18-25(23(19)17-22,20-8-4-2-5-9-20)12-15-27(21)24(28)26-13-6-3-7-14-26;2*1-3-20-13-16(11-15-7-8-17(24-2)12-18(15)20)22(14-20)19(23)21-9-5-4-6-10-21;1-3-19-12-15(10-14-6-7-16(23-2)11-17(14)19)21(13-19)18(22)20-8-4-5-9-20/h2,4-5,8-11,17,21H,3,6-7,12-16,18H2,1H3;2*7-8,12,16H,3-6,9-11,13-14H2,1-2H3;6-7,11,15H,3-5,8-10,12-13H2,1-2H3
• InChIKey: ZQONAVISJQWFIH-UHFFFAOYSA-N
• XLogP: 14.96
• TPSA: 131.12 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1361.87
LogP ≤ 5	14.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of bis((1-ethyl-4-methoxy-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-yl)-piperidin-1-ylmethanone);(1-ethyl-4-methoxy-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-yl)-pyrrolidin-1-ylmethanone;(4-methoxy-1-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl)-piperidin-1-ylmethanone?

The IUPAC name of bis((1-ethyl-4-methoxy-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-yl)-piperidin-1-ylmethanone);(1-ethyl-4-methoxy-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-yl)-pyrrolidin-1-ylmethanone;(4-methoxy-1-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl)-piperidin-1-ylmethanone (CID 162193028) is bis((1-ethyl-4-methoxy-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-yl)-piperidin-1-ylmethanone);(1-ethyl-4-methoxy-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-yl)-pyrrolidin-1-ylmethanone;(4-methoxy-1-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl)-piperidin-1-ylmethanone.

What is the SMILES notation for bis((1-ethyl-4-methoxy-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-yl)-piperidin-1-ylmethanone);(1-ethyl-4-methoxy-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-yl)-pyrrolidin-1-ylmethanone;(4-methoxy-1-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl)-piperidin-1-ylmethanone?

The canonical SMILES for bis((1-ethyl-4-methoxy-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-yl)-piperidin-1-ylmethanone);(1-ethyl-4-methoxy-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-yl)-pyrrolidin-1-ylmethanone;(4-methoxy-1-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl)-piperidin-1-ylmethanone is CCC12CC(Cc3ccc(OC)cc31)N(C(=O)N1CCCC1)C2.CCC12CC(Cc3ccc(OC)cc31)N(C(=O)N1CCCCC1)C2.CCC12CC(Cc3ccc(OC)cc31)N(C(=O)N1CCCCC1)C2.COc1ccc2c(c1)C1(c3ccccc3)CCN(C(=O)N3CCCCC3)C(C2)C1.

What is the InChIKey of bis((1-ethyl-4-methoxy-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-yl)-piperidin-1-ylmethanone);(1-ethyl-4-methoxy-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-yl)-pyrrolidin-1-ylmethanone;(4-methoxy-1-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl)-piperidin-1-ylmethanone?

The InChIKey is ZQONAVISJQWFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2.2C20H28N2O2.C19H26N2O2/c1-29-22-11-10-19-16-21-18-25(23(19)17-22,20-8-4-2-5-9-20)12-15-27(21)24(28)26-13-6-3-7-14-26;2*1-3-20-13-16(11-15-7-8-17(24-2)12-18(15)20)22(14-20)19(23)21-9-5-4-6-10-21;1-3-19-12-15(10-14-6-7-16(23-2)11-17(14)19)21(13-19)18(22)20-8-4-5-9-20/h2,4-5,8-11,17,21H,3,6-7,12-16,18H2,1H3;2*7-8,12,16H,3-6,9-11,13-14H2,1-2H3;6-7,11,15H,3-5,8-10,12-13H2,1-2H3.

What are the key properties of bis((1-ethyl-4-methoxy-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-yl)-piperidin-1-ylmethanone);(1-ethyl-4-methoxy-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-yl)-pyrrolidin-1-ylmethanone;(4-methoxy-1-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl)-piperidin-1-ylmethanone?

bis((1-ethyl-4-methoxy-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-yl)-piperidin-1-ylmethanone);(1-ethyl-4-methoxy-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-yl)-pyrrolidin-1-ylmethanone;(4-methoxy-1-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl)-piperidin-1-ylmethanone has a molecular weight of 1361.87 g/mol, XLogP of 14.96, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for bis((1-ethyl-4-methoxy-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-yl)-piperidin-1-ylmethanone);(1-ethyl-4-methoxy-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-yl)-pyrrolidin-1-ylmethanone;(4-methoxy-1-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 162193028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).