N-[1-[[2-[1-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide

C48H94N8O2 — CID 70940073

About N-[1-[[2-[1-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide

N-[1-[[2-[1-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide (PubChem CID 70940073) has the molecular formula C48H94N8O2 and a molecular weight of 815.33 g/mol. Its IUPAC name is N-[1-[[2-[1-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide.

Molecular Properties

• Compound Name: N-[1-[[2-[1-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
• PubChem CID: 70940073
• Molecular Formula: C48H94N8O2
• Molecular Weight: 815.33 g/mol
• Exact Mass: 814.75
• IUPAC Name: N-[1-[[2-[1-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
• SMILES: CCC(=O)N(C1CC(C)(C)NC(C)(C)C1)C(CC)N(C(=O)CN(C1CC(C)(C)NC(C)(C)C1)C(CC)N(C)C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1
• InChI: InChI=1S/C48H94N8O2/c1-21-37(53(20)33-24-41(4,5)49-42(6,7)25-33)54(34-26-43(8,9)50-44(10,11)27-34)32-40(58)56(36-30-47(16,17)52-48(18,19)31-36)38(22-2)55(39(57)23-3)35-28-45(12,13)51-46(14,15)29-35/h33-38,49-52H,21-32H2,1-20H3
• InChIKey: JPMPSBZGGGQPIA-UHFFFAOYSA-N
• XLogP: 8.00
• TPSA: 95.22 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	815.33
LogP ≤ 5	8.00
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-[1-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?

The IUPAC name of N-[1-[[2-[1-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide (CID 70940073) is N-[1-[[2-[1-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide.

What is the SMILES notation for N-[1-[[2-[1-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?

The canonical SMILES for N-[1-[[2-[1-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide is CCC(=O)N(C1CC(C)(C)NC(C)(C)C1)C(CC)N(C(=O)CN(C1CC(C)(C)NC(C)(C)C1)C(CC)N(C)C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1.

What is the InChIKey of N-[1-[[2-[1-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?

The InChIKey is JPMPSBZGGGQPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H94N8O2/c1-21-37(53(20)33-24-41(4,5)49-42(6,7)25-33)54(34-26-43(8,9)50-44(10,11)27-34)32-40(58)56(36-30-47(16,17)52-48(18,19)31-36)38(22-2)55(39(57)23-3)35-28-45(12,13)51-46(14,15)29-35/h33-38,49-52H,21-32H2,1-20H3.

What are the key properties of N-[1-[[2-[1-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?

N-[1-[[2-[1-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide has a molecular weight of 815.33 g/mol, XLogP of 8.00, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[2-[1-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide is sourced from PubChem (CID 70940073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).