N-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentyl]-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

C63H122N10O4 — CID 22088708

IUPACN-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentyl]-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(CCCCCN(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/C63H122N10O4/c1-48(74)32-24-21-26-34-64-54(76)72(51-44-60(10,11)68-61(12,13)45-51)38-29-19-20-30-39-73(52-46-62(14,15)69-63(16,17)47-52)55(77)65-35-27-22-25-33-53(75)71(50-42-58(6,7)67-59(8,9)43-50)37-31-23-28-36-70(18)49-40-56(2,3)66-57(4,5)41-49/h49-52,66-69H,19-47H2,1-18H3,(H,64,76)(H,65,77)
InChIKeyNOVLIDDUDNEBKQ-UHFFFAOYSA-N
MW1083.73 g/mol
LogP11.45
Rot. Bonds29

About N-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentyl]-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-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentyl]-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 22088708) has the molecular formula C63H122N10O4 and a molecular weight of 1083.73 g/mol. Its IUPAC name is N-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentyl]-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-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentyl]-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 CID22088708
Molecular FormulaC63H122N10O4
Molecular Weight1083.73 g/mol
Exact Mass1082.97
IUPAC NameN-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentyl]-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(CCCCCN(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/C63H122N10O4/c1-48(74)32-24-21-26-34-64-54(76)72(51-44-60(10,11)68-61(12,13)45-51)38-29-19-20-30-39-73(52-46-62(14,15)69-63(16,17)47-52)55(77)65-35-27-22-25-33-53(75)71(50-42-58(6,7)67-59(8,9)43-50)37-31-23-28-36-70(18)49-40-56(2,3)66-57(4,5)41-49/h49-52,66-69H,19-47H2,1-18H3,(H,64,76)(H,65,77)
InChIKeyNOVLIDDUDNEBKQ-UHFFFAOYSA-N
XLogP11.45
TPSA153.42 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds29
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001083.73
LogP ≤ 511.45
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentyl]-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-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentyl]-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-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentyl]-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 22088708) is N-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentyl]-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-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentyl]-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-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentyl]-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(CCCCCN(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-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentyl]-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 NOVLIDDUDNEBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H122N10O4/c1-48(74)32-24-21-26-34-64-54(76)72(51-44-60(10,11)68-61(12,13)45-51)38-29-19-20-30-39-73(52-46-62(14,15)69-63(16,17)47-52)55(77)65-35-27-22-25-33-53(75)71(50-42-58(6,7)67-59(8,9)43-50)37-31-23-28-36-70(18)49-40-56(2,3)66-57(4,5)41-49/h49-52,66-69H,19-47H2,1-18H3,(H,64,76)(H,65,77).
What are the key properties of N-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentyl]-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-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentyl]-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 1083.73 g/mol, XLogP of 11.45, 29 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentyl]-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 22088708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).