N-[6-[[2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide

C54H106N8O2 — CID 59345625

IUPACN-[6-[[2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
SMILESCCC(=O)N(CCCCCCN(C(=O)CN(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/C54H106N8O2/c1-19-45(63)61(43-36-51(10,11)57-52(12,13)37-43)30-26-22-23-27-31-62(44-38-53(14,15)58-54(16,17)39-44)46(64)40-60(42-34-49(6,7)56-50(8,9)35-42)29-25-21-20-24-28-59(18)41-32-47(2,3)55-48(4,5)33-41/h41-44,55-58H,19-40H2,1-18H3
InChIKeyQJHSCAJLXFSAKS-UHFFFAOYSA-N
MW899.50 g/mol
LogP9.65
Rot. Bonds21

About N-[6-[[2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide

N-[6-[[2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide (PubChem CID 59345625) has the molecular formula C54H106N8O2 and a molecular weight of 899.50 g/mol. Its IUPAC name is N-[6-[[2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide.

Molecular Properties

Compound NameN-[6-[[2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
PubChem CID59345625
Molecular FormulaC54H106N8O2
Molecular Weight899.50 g/mol
Exact Mass898.84
IUPAC NameN-[6-[[2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
SMILESCCC(=O)N(CCCCCCN(C(=O)CN(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/C54H106N8O2/c1-19-45(63)61(43-36-51(10,11)57-52(12,13)37-43)30-26-22-23-27-31-62(44-38-53(14,15)58-54(16,17)39-44)46(64)40-60(42-34-49(6,7)56-50(8,9)35-42)29-25-21-20-24-28-59(18)41-32-47(2,3)55-48(4,5)33-41/h41-44,55-58H,19-40H2,1-18H3
InChIKeyQJHSCAJLXFSAKS-UHFFFAOYSA-N
XLogP9.65
TPSA95.22 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500899.50
LogP ≤ 59.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[6-[[2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[[2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
The IUPAC name of N-[6-[[2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide (CID 59345625) is N-[6-[[2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide.
What is the SMILES notation for N-[6-[[2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
The canonical SMILES for N-[6-[[2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide is CCC(=O)N(CCCCCCN(C(=O)CN(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-[[2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
The InChIKey is QJHSCAJLXFSAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H106N8O2/c1-19-45(63)61(43-36-51(10,11)57-52(12,13)37-43)30-26-22-23-27-31-62(44-38-53(14,15)58-54(16,17)39-44)46(64)40-60(42-34-49(6,7)56-50(8,9)35-42)29-25-21-20-24-28-59(18)41-32-47(2,3)55-48(4,5)33-41/h41-44,55-58H,19-40H2,1-18H3.
What are the key properties of N-[6-[[2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
N-[6-[[2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide has a molecular weight of 899.50 g/mol, XLogP of 9.65, 21 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide is sourced from PubChem (CID 59345625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).