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

C42H81N5O4 — CID 91141709

IUPACN-[6-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylbutanoate
SMILESCC(=O)N(CCCCCCN(C(C)=O)C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1.CCC(C)C(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C28H54N4O2.C14H27NO2/c1-21(33)31(23-17-25(3,4)29-26(5,6)18-23)15-13-11-12-14-16-32(22(2)34)24-19-27(7,8)30-28(9,10)20-24;1-7-10(2)12(16)17-11-8-13(3,4)15-14(5,6)9-11/h23-24,29-30H,11-20H2,1-10H3;10-11,15H,7-9H2,1-6H3
InChIKeyAJNSSVFPWRJAGY-UHFFFAOYSA-N
MW720.14 g/mol
LogP7.75
Rot. Bonds12

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

N-[6-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylbutanoate (PubChem CID 91141709) has the molecular formula C42H81N5O4 and a molecular weight of 720.14 g/mol. Its IUPAC name is N-[6-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylbutanoate.

Molecular Properties

Compound NameN-[6-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylbutanoate
PubChem CID91141709
Molecular FormulaC42H81N5O4
Molecular Weight720.14 g/mol
Exact Mass719.63
IUPAC NameN-[6-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylbutanoate
SMILESCC(=O)N(CCCCCCN(C(C)=O)C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1.CCC(C)C(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C28H54N4O2.C14H27NO2/c1-21(33)31(23-17-25(3,4)29-26(5,6)18-23)15-13-11-12-14-16-32(22(2)34)24-19-27(7,8)30-28(9,10)20-24;1-7-10(2)12(16)17-11-8-13(3,4)15-14(5,6)9-11/h23-24,29-30H,11-20H2,1-10H3;10-11,15H,7-9H2,1-6H3
InChIKeyAJNSSVFPWRJAGY-UHFFFAOYSA-N
XLogP7.75
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.14
LogP ≤ 57.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylbutanoate?
The IUPAC name of N-[6-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylbutanoate (CID 91141709) is N-[6-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylbutanoate.
What is the SMILES notation for N-[6-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylbutanoate?
The canonical SMILES for N-[6-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylbutanoate is CC(=O)N(CCCCCCN(C(C)=O)C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1.CCC(C)C(=O)OC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of N-[6-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylbutanoate?
The InChIKey is AJNSSVFPWRJAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54N4O2.C14H27NO2/c1-21(33)31(23-17-25(3,4)29-26(5,6)18-23)15-13-11-12-14-16-32(22(2)34)24-19-27(7,8)30-28(9,10)20-24;1-7-10(2)12(16)17-11-8-13(3,4)15-14(5,6)9-11/h23-24,29-30H,11-20H2,1-10H3;10-11,15H,7-9H2,1-6H3.
What are the key properties of N-[6-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylbutanoate?
N-[6-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylbutanoate has a molecular weight of 720.14 g/mol, XLogP of 7.75, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylbutanoate is sourced from PubChem (CID 91141709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).