1-[4-[[4-[6-[[4-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-6-(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]hexylamino]-6-(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazin-2-yl]oxy]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone

C52H90N12O4 — CID 19991777

About 1-[4-[[4-[6-[[4-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-6-(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]hexylamino]-6-(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazin-2-yl]oxy]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone

1-[4-[[4-[6-[[4-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-6-(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]hexylamino]-6-(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazin-2-yl]oxy]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone (PubChem CID 19991777) has the molecular formula C52H90N12O4 and a molecular weight of 947.37 g/mol. Its IUPAC name is 1-[4-[[4-[6-[[4-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-6-(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]hexylamino]-6-(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazin-2-yl]oxy]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[[4-[6-[[4-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-6-(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]hexylamino]-6-(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazin-2-yl]oxy]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone
• PubChem CID: 19991777
• Molecular Formula: C52H90N12O4
• Molecular Weight: 947.37 g/mol
• Exact Mass: 946.72
• IUPAC Name: 1-[4-[[4-[6-[[4-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-6-(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]hexylamino]-6-(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazin-2-yl]oxy]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone
• SMILES: CC(=O)N1C(C)(C)CC(Oc2nc(NCCCCCCNc3nc(OC4CC(C)(C)N(C(C)=O)C(C)(C)C4)nc(N4C(C)(C)CCCC4(C)C)n3)nc(N3C(C)(C)CCCC3(C)C)n2)CC1(C)C
• InChI: InChI=1S/C52H90N12O4/c1-35(65)61-49(11,12)31-37(32-50(61,13)14)67-43-57-39(55-41(59-43)63-45(3,4)25-23-26-46(63,5)6)53-29-21-19-20-22-30-54-40-56-42(64-47(7,8)27-24-28-48(64,9)10)60-44(58-40)68-38-33-51(15,16)62(36(2)66)52(17,18)34-38/h37-38H,19-34H2,1-18H3,(H,53,55,57,59)(H,54,56,58,60)
• InChIKey: ZTRIHYGWTYHOBY-UHFFFAOYSA-N
• XLogP: 10.13
• TPSA: 166.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 15
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	947.37
LogP ≤ 5	10.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-[6-[[4-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-6-(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]hexylamino]-6-(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazin-2-yl]oxy]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone?

The IUPAC name of 1-[4-[[4-[6-[[4-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-6-(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]hexylamino]-6-(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazin-2-yl]oxy]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone (CID 19991777) is 1-[4-[[4-[6-[[4-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-6-(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]hexylamino]-6-(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazin-2-yl]oxy]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone.

What is the SMILES notation for 1-[4-[[4-[6-[[4-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-6-(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]hexylamino]-6-(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazin-2-yl]oxy]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone?

The canonical SMILES for 1-[4-[[4-[6-[[4-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-6-(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]hexylamino]-6-(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazin-2-yl]oxy]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone is CC(=O)N1C(C)(C)CC(Oc2nc(NCCCCCCNc3nc(OC4CC(C)(C)N(C(C)=O)C(C)(C)C4)nc(N4C(C)(C)CCCC4(C)C)n3)nc(N3C(C)(C)CCCC3(C)C)n2)CC1(C)C.

What is the InChIKey of 1-[4-[[4-[6-[[4-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-6-(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]hexylamino]-6-(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazin-2-yl]oxy]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone?

The InChIKey is ZTRIHYGWTYHOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H90N12O4/c1-35(65)61-49(11,12)31-37(32-50(61,13)14)67-43-57-39(55-41(59-43)63-45(3,4)25-23-26-46(63,5)6)53-29-21-19-20-22-30-54-40-56-42(64-47(7,8)27-24-28-48(64,9)10)60-44(58-40)68-38-33-51(15,16)62(36(2)66)52(17,18)34-38/h37-38H,19-34H2,1-18H3,(H,53,55,57,59)(H,54,56,58,60).

What are the key properties of 1-[4-[[4-[6-[[4-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-6-(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]hexylamino]-6-(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazin-2-yl]oxy]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone?

1-[4-[[4-[6-[[4-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-6-(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]hexylamino]-6-(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazin-2-yl]oxy]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone has a molecular weight of 947.37 g/mol, XLogP of 10.13, 15 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[4-[6-[[4-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-6-(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]hexylamino]-6-(2,2,6,6-tetramethylpiperidin-1-yl)-1,3,5-triazin-2-yl]oxy]-2,2,6,6-tetramethylpiperidin-1-yl]ethanone is sourced from PubChem (CID 19991777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).