5-[5-[4-[5-(6-bromo-13,15-dichloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)pentyl]piperidin-1-yl]-5-oxopentyl]-1,3-oxazinan-2-one;5-[3-[4-(6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperidin-1-yl]-3-oxopropyl]-1,3-oxazinan-2-one

C59H70Br3Cl3N6O6 — CID 145475759

About 5-[5-[4-[5-(6-bromo-13,15-dichloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)pentyl]piperidin-1-yl]-5-oxopentyl]-1,3-oxazinan-2-one;5-[3-[4-(6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperidin-1-yl]-3-oxopropyl]-1,3-oxazinan-2-one

5-[5-[4-[5-(6-bromo-13,15-dichloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)pentyl]piperidin-1-yl]-5-oxopentyl]-1,3-oxazinan-2-one;5-[3-[4-(6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperidin-1-yl]-3-oxopropyl]-1,3-oxazinan-2-one (PubChem CID 145475759) has the molecular formula C59H70Br3Cl3N6O6 and a molecular weight of 1305.32 g/mol. Its IUPAC name is 5-[5-[4-[5-(6-bromo-13,15-dichloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)pentyl]piperidin-1-yl]-5-oxopentyl]-1,3-oxazinan-2-one;5-[3-[4-(6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperidin-1-yl]-3-oxopropyl]-1,3-oxazinan-2-one.

Molecular Properties

• Compound Name: 5-[5-[4-[5-(6-bromo-13,15-dichloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)pentyl]piperidin-1-yl]-5-oxopentyl]-1,3-oxazinan-2-one;5-[3-[4-(6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperidin-1-yl]-3-oxopropyl]-1,3-oxazinan-2-one
• PubChem CID: 145475759
• Molecular Formula: C59H70Br3Cl3N6O6
• Molecular Weight: 1305.32 g/mol
• Exact Mass: 1300.20
• IUPAC Name: 5-[5-[4-[5-(6-bromo-13,15-dichloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)pentyl]piperidin-1-yl]-5-oxopentyl]-1,3-oxazinan-2-one;5-[3-[4-(6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperidin-1-yl]-3-oxopropyl]-1,3-oxazinan-2-one
• SMILES: O=C1NCC(CCC(=O)N2CCC(C3c4ncc(Br)cc4CCc4cc(Cl)cc(Br)c43)CC2)CO1.O=C1NCC(CCCCC(=O)N2CCC(CCCCCC3c4ncc(Br)cc4CCc4cc(Cl)cc(Cl)c43)CC2)CO1
• InChI: InChI=1S/C33H42BrCl2N3O3.C26H28Br2ClN3O3/c34-26-16-25-11-10-24-17-27(35)18-29(36)31(24)28(32(25)37-20-26)8-3-1-2-6-22-12-14-39(15-13-22)30(40)9-5-4-7-23-19-38-33(41)42-21-23;27-19-9-18-3-2-17-10-20(29)11-21(28)23(17)24(25(18)30-13-19)16-5-7-32(8-6-16)22(33)4-1-15-12-31-26(34)35-14-15/h16-18,20,22-23,28H,1-15,19,21H2,(H,38,41);9-11,13,15-16,24H,1-8,12,14H2,(H,31,34)
• InChIKey: PZPWGXLTAIAJGP-UHFFFAOYSA-N
• XLogP: 14.35
• TPSA: 143.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1305.32
LogP ≤ 5	14.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[5-[4-[5-(6-bromo-13,15-dichloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)pentyl]piperidin-1-yl]-5-oxopentyl]-1,3-oxazinan-2-one;5-[3-[4-(6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperidin-1-yl]-3-oxopropyl]-1,3-oxazinan-2-one?

The IUPAC name of 5-[5-[4-[5-(6-bromo-13,15-dichloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)pentyl]piperidin-1-yl]-5-oxopentyl]-1,3-oxazinan-2-one;5-[3-[4-(6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperidin-1-yl]-3-oxopropyl]-1,3-oxazinan-2-one (CID 145475759) is 5-[5-[4-[5-(6-bromo-13,15-dichloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)pentyl]piperidin-1-yl]-5-oxopentyl]-1,3-oxazinan-2-one;5-[3-[4-(6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperidin-1-yl]-3-oxopropyl]-1,3-oxazinan-2-one.

What is the SMILES notation for 5-[5-[4-[5-(6-bromo-13,15-dichloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)pentyl]piperidin-1-yl]-5-oxopentyl]-1,3-oxazinan-2-one;5-[3-[4-(6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperidin-1-yl]-3-oxopropyl]-1,3-oxazinan-2-one?

The canonical SMILES for 5-[5-[4-[5-(6-bromo-13,15-dichloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)pentyl]piperidin-1-yl]-5-oxopentyl]-1,3-oxazinan-2-one;5-[3-[4-(6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperidin-1-yl]-3-oxopropyl]-1,3-oxazinan-2-one is O=C1NCC(CCC(=O)N2CCC(C3c4ncc(Br)cc4CCc4cc(Cl)cc(Br)c43)CC2)CO1.O=C1NCC(CCCCC(=O)N2CCC(CCCCCC3c4ncc(Br)cc4CCc4cc(Cl)cc(Cl)c43)CC2)CO1.

What is the InChIKey of 5-[5-[4-[5-(6-bromo-13,15-dichloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)pentyl]piperidin-1-yl]-5-oxopentyl]-1,3-oxazinan-2-one;5-[3-[4-(6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperidin-1-yl]-3-oxopropyl]-1,3-oxazinan-2-one?

The InChIKey is PZPWGXLTAIAJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42BrCl2N3O3.C26H28Br2ClN3O3/c34-26-16-25-11-10-24-17-27(35)18-29(36)31(24)28(32(25)37-20-26)8-3-1-2-6-22-12-14-39(15-13-22)30(40)9-5-4-7-23-19-38-33(41)42-21-23;27-19-9-18-3-2-17-10-20(29)11-21(28)23(17)24(25(18)30-13-19)16-5-7-32(8-6-16)22(33)4-1-15-12-31-26(34)35-14-15/h16-18,20,22-23,28H,1-15,19,21H2,(H,38,41);9-11,13,15-16,24H,1-8,12,14H2,(H,31,34).

What are the key properties of 5-[5-[4-[5-(6-bromo-13,15-dichloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)pentyl]piperidin-1-yl]-5-oxopentyl]-1,3-oxazinan-2-one;5-[3-[4-(6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperidin-1-yl]-3-oxopropyl]-1,3-oxazinan-2-one?

5-[5-[4-[5-(6-bromo-13,15-dichloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)pentyl]piperidin-1-yl]-5-oxopentyl]-1,3-oxazinan-2-one;5-[3-[4-(6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperidin-1-yl]-3-oxopropyl]-1,3-oxazinan-2-one has a molecular weight of 1305.32 g/mol, XLogP of 14.35, 15 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[4-[5-(6-bromo-13,15-dichloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)pentyl]piperidin-1-yl]-5-oxopentyl]-1,3-oxazinan-2-one;5-[3-[4-(6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperidin-1-yl]-3-oxopropyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 145475759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).