N-[3-[[2-[3-[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 59345609

IUPACN-[3-[[2-[3-[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
SMILESCCC(=O)N(CCCN(C(=O)CN(CCCN(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/C48H94N8O2/c1-19-39(57)55(37-30-45(10,11)51-46(12,13)31-37)24-21-25-56(38-32-47(14,15)52-48(16,17)33-38)40(58)34-54(36-28-43(6,7)50-44(8,9)29-36)23-20-22-53(18)35-26-41(2,3)49-42(4,5)27-35/h35-38,49-52H,19-34H2,1-18H3
InChIKeyVNSMNYOVKKOZPR-UHFFFAOYSA-N
MW815.33 g/mol
LogP7.30
Rot. Bonds15

About N-[3-[[2-[3-[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-[3-[[2-[3-[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 59345609) has the molecular formula C48H94N8O2 and a molecular weight of 815.33 g/mol. Its IUPAC name is N-[3-[[2-[3-[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 NameN-[3-[[2-[3-[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 CID59345609
Molecular FormulaC48H94N8O2
Molecular Weight815.33 g/mol
Exact Mass814.75
IUPAC NameN-[3-[[2-[3-[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
SMILESCCC(=O)N(CCCN(C(=O)CN(CCCN(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/C48H94N8O2/c1-19-39(57)55(37-30-45(10,11)51-46(12,13)31-37)24-21-25-56(38-32-47(14,15)52-48(16,17)33-38)40(58)34-54(36-28-43(6,7)50-44(8,9)29-36)23-20-22-53(18)35-26-41(2,3)49-42(4,5)27-35/h35-38,49-52H,19-34H2,1-18H3
InChIKeyVNSMNYOVKKOZPR-UHFFFAOYSA-N
XLogP7.30
TPSA95.22 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.33
LogP ≤ 57.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[3-[[2-[3-[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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[3-[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-[3-[[2-[3-[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 59345609) is N-[3-[[2-[3-[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-[3-[[2-[3-[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-[3-[[2-[3-[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(CCCN(C(=O)CN(CCCN(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-[3-[[2-[3-[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 VNSMNYOVKKOZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H94N8O2/c1-19-39(57)55(37-30-45(10,11)51-46(12,13)31-37)24-21-25-56(38-32-47(14,15)52-48(16,17)33-38)40(58)34-54(36-28-43(6,7)50-44(8,9)29-36)23-20-22-53(18)35-26-41(2,3)49-42(4,5)27-35/h35-38,49-52H,19-34H2,1-18H3.
What are the key properties of N-[3-[[2-[3-[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-[3-[[2-[3-[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 7.30, 15 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[3-[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 59345609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).