N-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-6-[[6-[6-oxoheptylcarbamoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)hexanamide

C64H124N10O4 — CID 59050535

IUPACN-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-6-[[6-[6-oxoheptylcarbamoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)hexanamide
SMILESCC(=O)CCCCCNC(=O)N(CCCCCCN(C(=O)NCCCCCC(=O)N(CCCCCCN(C)C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C64H124N10O4/c1-49(75)33-25-23-27-35-65-55(77)73(52-45-61(10,11)69-62(12,13)46-52)39-31-21-22-32-40-74(53-47-63(14,15)70-64(16,17)48-53)56(78)66-36-28-24-26-34-54(76)72(51-43-59(6,7)68-60(8,9)44-51)38-30-20-19-29-37-71(18)50-41-57(2,3)67-58(4,5)42-50/h50-53,67-70H,19-48H2,1-18H3,(H,65,77)(H,66,78)
InChIKeyVRPWYYJDLSGBMP-UHFFFAOYSA-N
MW1097.76 g/mol
LogP11.84
Rot. Bonds30

About N-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-6-[[6-[6-oxoheptylcarbamoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)hexanamide

N-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-6-[[6-[6-oxoheptylcarbamoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)hexanamide (PubChem CID 59050535) has the molecular formula C64H124N10O4 and a molecular weight of 1097.76 g/mol. Its IUPAC name is N-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-6-[[6-[6-oxoheptylcarbamoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)hexanamide.

Molecular Properties

Compound NameN-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-6-[[6-[6-oxoheptylcarbamoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)hexanamide
PubChem CID59050535
Molecular FormulaC64H124N10O4
Molecular Weight1097.76 g/mol
Exact Mass1096.98
IUPAC NameN-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-6-[[6-[6-oxoheptylcarbamoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)hexanamide
SMILESCC(=O)CCCCCNC(=O)N(CCCCCCN(C(=O)NCCCCCC(=O)N(CCCCCCN(C)C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C64H124N10O4/c1-49(75)33-25-23-27-35-65-55(77)73(52-45-61(10,11)69-62(12,13)46-52)39-31-21-22-32-40-74(53-47-63(14,15)70-64(16,17)48-53)56(78)66-36-28-24-26-34-54(76)72(51-43-59(6,7)68-60(8,9)44-51)38-30-20-19-29-37-71(18)50-41-57(2,3)67-58(4,5)42-50/h50-53,67-70H,19-48H2,1-18H3,(H,65,77)(H,66,78)
InChIKeyVRPWYYJDLSGBMP-UHFFFAOYSA-N
XLogP11.84
TPSA153.42 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds30
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001097.76
LogP ≤ 511.84
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-6-[[6-[6-oxoheptylcarbamoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)hexanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-6-[[6-[6-oxoheptylcarbamoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)hexanamide?
The IUPAC name of N-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-6-[[6-[6-oxoheptylcarbamoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)hexanamide (CID 59050535) is N-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-6-[[6-[6-oxoheptylcarbamoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)hexanamide.
What is the SMILES notation for N-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-6-[[6-[6-oxoheptylcarbamoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)hexanamide?
The canonical SMILES for N-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-6-[[6-[6-oxoheptylcarbamoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)hexanamide is CC(=O)CCCCCNC(=O)N(CCCCCCN(C(=O)NCCCCCC(=O)N(CCCCCCN(C)C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of N-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-6-[[6-[6-oxoheptylcarbamoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)hexanamide?
The InChIKey is VRPWYYJDLSGBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H124N10O4/c1-49(75)33-25-23-27-35-65-55(77)73(52-45-61(10,11)69-62(12,13)46-52)39-31-21-22-32-40-74(53-47-63(14,15)70-64(16,17)48-53)56(78)66-36-28-24-26-34-54(76)72(51-43-59(6,7)68-60(8,9)44-51)38-30-20-19-29-37-71(18)50-41-57(2,3)67-58(4,5)42-50/h50-53,67-70H,19-48H2,1-18H3,(H,65,77)(H,66,78).
What are the key properties of N-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-6-[[6-[6-oxoheptylcarbamoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)hexanamide?
N-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-6-[[6-[6-oxoheptylcarbamoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)hexanamide has a molecular weight of 1097.76 g/mol, XLogP of 11.84, 30 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-6-[[6-[6-oxoheptylcarbamoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)hexanamide is sourced from PubChem (CID 59050535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).