6-[[4-[6-[[4-(5-carboxypentylamino)-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexanoic acid

C92H166N16O8 — CID 19090255

About 6-[[4-[6-[[4-(5-carboxypentylamino)-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexanoic acid

6-[[4-[6-[[4-(5-carboxypentylamino)-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexanoic acid (PubChem CID 19090255) has the molecular formula C92H166N16O8 and a molecular weight of 1624.44 g/mol. Its IUPAC name is 6-[[4-[6-[[4-(5-carboxypentylamino)-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexanoic acid.

Molecular Properties

• Compound Name: 6-[[4-[6-[[4-(5-carboxypentylamino)-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexanoic acid
• PubChem CID: 19090255
• Molecular Formula: C92H166N16O8
• Molecular Weight: 1624.44 g/mol
• Exact Mass: 1623.31
• IUPAC Name: 6-[[4-[6-[[4-(5-carboxypentylamino)-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexanoic acid
• SMILES: CCCC(Nc1nc(NCCCCCC(=O)O)nc(N(CCCCCCN(c2nc(NCCCCCC(=O)O)nc(NC(CCC)C3CC(C)(C)N(OC4CCCCC4)C(C)(C)C3)n2)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1
• InChI: InChI=1S/C92H166N16O8/c1-19-43-75(67-59-85(3,4)105(86(5,6)60-67)113-71-45-29-23-30-46-71)95-81-97-79(93-55-39-27-37-53-77(109)110)99-83(101-81)103(69-63-89(11,12)107(90(13,14)64-69)115-73-49-33-25-34-50-73)57-41-21-22-42-58-104(70-65-91(15,16)108(92(17,18)66-70)116-74-51-35-26-36-52-74)84-100-80(94-56-40-28-38-54-78(111)112)98-82(102-84)96-76(44-20-2)68-61-87(7,8)106(88(9,10)62-68)114-72-47-31-24-32-48-72/h67-76H,19-66H2,1-18H3,(H,109,110)(H,111,112)(H2,93,95,97,99,101)(H2,94,96,98,100,102)
• InChIKey: FIFZLPRKDOSVSN-UHFFFAOYSA-N
• XLogP: 20.84
• TPSA: 256.42 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 43
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1624.44
LogP ≤ 5	20.84
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[6-[[4-(5-carboxypentylamino)-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexanoic acid?

The IUPAC name of 6-[[4-[6-[[4-(5-carboxypentylamino)-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexanoic acid (CID 19090255) is 6-[[4-[6-[[4-(5-carboxypentylamino)-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexanoic acid.

What is the SMILES notation for 6-[[4-[6-[[4-(5-carboxypentylamino)-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexanoic acid?

The canonical SMILES for 6-[[4-[6-[[4-(5-carboxypentylamino)-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexanoic acid is CCCC(Nc1nc(NCCCCCC(=O)O)nc(N(CCCCCCN(c2nc(NCCCCCC(=O)O)nc(NC(CCC)C3CC(C)(C)N(OC4CCCCC4)C(C)(C)C3)n2)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1.

What is the InChIKey of 6-[[4-[6-[[4-(5-carboxypentylamino)-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexanoic acid?

The InChIKey is FIFZLPRKDOSVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H166N16O8/c1-19-43-75(67-59-85(3,4)105(86(5,6)60-67)113-71-45-29-23-30-46-71)95-81-97-79(93-55-39-27-37-53-77(109)110)99-83(101-81)103(69-63-89(11,12)107(90(13,14)64-69)115-73-49-33-25-34-50-73)57-41-21-22-42-58-104(70-65-91(15,16)108(92(17,18)66-70)116-74-51-35-26-36-52-74)84-100-80(94-56-40-28-38-54-78(111)112)98-82(102-84)96-76(44-20-2)68-61-87(7,8)106(88(9,10)62-68)114-72-47-31-24-32-48-72/h67-76H,19-66H2,1-18H3,(H,109,110)(H,111,112)(H2,93,95,97,99,101)(H2,94,96,98,100,102).

What are the key properties of 6-[[4-[6-[[4-(5-carboxypentylamino)-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexanoic acid?

6-[[4-[6-[[4-(5-carboxypentylamino)-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexanoic acid has a molecular weight of 1624.44 g/mol, XLogP of 20.84, 43 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[4-[6-[[4-(5-carboxypentylamino)-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexanoic acid is sourced from PubChem (CID 19090255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).