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

C49H96N8O2 — CID 59345634

IUPACN-[6-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCC(=O)N(CCCCCCN(C(=O)CN(CCN(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/C49H96N8O2/c1-36(58)56(39-31-46(10,11)52-47(12,13)32-39)23-21-19-20-22-24-57(40-33-48(14,15)53-49(16,17)34-40)41(59)35-55(38-29-44(6,7)51-45(8,9)30-38)26-25-54(18)37-27-42(2,3)50-43(4,5)28-37/h37-40,50-53H,19-35H2,1-18H3
InChIKeyKKOAGFZFMKXNLM-UHFFFAOYSA-N
MW829.36 g/mol
LogP7.69
Rot. Bonds16

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

N-[6-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (PubChem CID 59345634) has the molecular formula C49H96N8O2 and a molecular weight of 829.36 g/mol. Its IUPAC name is N-[6-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[6-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
PubChem CID59345634
Molecular FormulaC49H96N8O2
Molecular Weight829.36 g/mol
Exact Mass828.77
IUPAC NameN-[6-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCC(=O)N(CCCCCCN(C(=O)CN(CCN(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/C49H96N8O2/c1-36(58)56(39-31-46(10,11)52-47(12,13)32-39)23-21-19-20-22-24-57(40-33-48(14,15)53-49(16,17)34-40)41(59)35-55(38-29-44(6,7)51-45(8,9)30-38)26-25-54(18)37-27-42(2,3)50-43(4,5)28-37/h37-40,50-53H,19-35H2,1-18H3
InChIKeyKKOAGFZFMKXNLM-UHFFFAOYSA-N
XLogP7.69
TPSA95.22 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.36
LogP ≤ 57.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The IUPAC name of N-[6-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (CID 59345634) is N-[6-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-[6-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The canonical SMILES for N-[6-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is CC(=O)N(CCCCCCN(C(=O)CN(CCN(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-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The InChIKey is KKOAGFZFMKXNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H96N8O2/c1-36(58)56(39-31-46(10,11)52-47(12,13)32-39)23-21-19-20-22-24-57(40-33-48(14,15)53-49(16,17)34-40)41(59)35-55(38-29-44(6,7)51-45(8,9)30-38)26-25-54(18)37-27-42(2,3)50-43(4,5)28-37/h37-40,50-53H,19-35H2,1-18H3.
What are the key properties of N-[6-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
N-[6-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide has a molecular weight of 829.36 g/mol, XLogP of 7.69, 16 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 59345634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).