N-[6-[formyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-1-yl)formamide

C26H50N4O2 — CID 57083811

IUPACN-[6-[formyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-1-yl)formamide
SMILESCC1(C)CCCC(C)(C)N1N(C=O)CCCCCCN(C=O)N1C(C)(C)CCCC1(C)C
InChIInChI=1S/C26H50N4O2/c1-23(2)15-13-16-24(3,4)29(23)27(21-31)19-11-9-10-12-20-28(22-32)30-25(5,6)17-14-18-26(30,7)8/h21-22H,9-20H2,1-8H3
InChIKeyUZBOXUKPACYXBQ-UHFFFAOYSA-N
MW450.71 g/mol
LogP5.38
Rot. Bonds11

About N-[6-[formyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-1-yl)formamide

N-[6-[formyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-1-yl)formamide (PubChem CID 57083811) has the molecular formula C26H50N4O2 and a molecular weight of 450.71 g/mol. Its IUPAC name is N-[6-[formyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-1-yl)formamide.

Molecular Properties

Compound NameN-[6-[formyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-1-yl)formamide
PubChem CID57083811
Molecular FormulaC26H50N4O2
Molecular Weight450.71 g/mol
Exact Mass450.39
IUPAC NameN-[6-[formyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-1-yl)formamide
SMILESCC1(C)CCCC(C)(C)N1N(C=O)CCCCCCN(C=O)N1C(C)(C)CCCC1(C)C
InChIInChI=1S/C26H50N4O2/c1-23(2)15-13-16-24(3,4)29(23)27(21-31)19-11-9-10-12-20-28(22-32)30-25(5,6)17-14-18-26(30,7)8/h21-22H,9-20H2,1-8H3
InChIKeyUZBOXUKPACYXBQ-UHFFFAOYSA-N
XLogP5.38
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.71
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-[formyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-1-yl)formamide?
The IUPAC name of N-[6-[formyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-1-yl)formamide (CID 57083811) is N-[6-[formyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-1-yl)formamide.
What is the SMILES notation for N-[6-[formyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-1-yl)formamide?
The canonical SMILES for N-[6-[formyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-1-yl)formamide is CC1(C)CCCC(C)(C)N1N(C=O)CCCCCCN(C=O)N1C(C)(C)CCCC1(C)C.
What is the InChIKey of N-[6-[formyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-1-yl)formamide?
The InChIKey is UZBOXUKPACYXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50N4O2/c1-23(2)15-13-16-24(3,4)29(23)27(21-31)19-11-9-10-12-20-28(22-32)30-25(5,6)17-14-18-26(30,7)8/h21-22H,9-20H2,1-8H3.
What are the key properties of N-[6-[formyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-1-yl)formamide?
N-[6-[formyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-1-yl)formamide has a molecular weight of 450.71 g/mol, XLogP of 5.38, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[formyl-(2,2,6,6-tetramethylpiperidin-1-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-1-yl)formamide is sourced from PubChem (CID 57083811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).