N-(2,2,6,6-tetramethylpiperidin-4-yl)octadecanamide

C27H54N2O — CID 579966

IUPACN-(2,2,6,6-tetramethylpiperidin-4-yl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C27H54N2O/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(30)28-24-22-26(2,3)29-27(4,5)23-24/h24,29H,6-23H2,1-5H3,(H,28,30)
InChIKeyBJYOZDZOZKVTAH-UHFFFAOYSA-N
MW422.74 g/mol
LogP7.67
Rot. Bonds17

About N-(2,2,6,6-tetramethylpiperidin-4-yl)octadecanamide

N-(2,2,6,6-tetramethylpiperidin-4-yl)octadecanamide (PubChem CID 579966) has the molecular formula C27H54N2O and a molecular weight of 422.74 g/mol. Its IUPAC name is N-(2,2,6,6-tetramethylpiperidin-4-yl)octadecanamide.

Molecular Properties

Compound NameN-(2,2,6,6-tetramethylpiperidin-4-yl)octadecanamide
PubChem CID579966
Molecular FormulaC27H54N2O
Molecular Weight422.74 g/mol
Exact Mass422.42
IUPAC NameN-(2,2,6,6-tetramethylpiperidin-4-yl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C27H54N2O/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(30)28-24-22-26(2,3)29-27(4,5)23-24/h24,29H,6-23H2,1-5H3,(H,28,30)
InChIKeyBJYOZDZOZKVTAH-UHFFFAOYSA-N
XLogP7.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.74
LogP ≤ 57.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2,2,6,6-tetramethylpiperidin-4-yl)octadecanamide 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-(2,2,6,6-tetramethylpiperidin-4-yl)octadecanamide?
The IUPAC name of N-(2,2,6,6-tetramethylpiperidin-4-yl)octadecanamide (CID 579966) is N-(2,2,6,6-tetramethylpiperidin-4-yl)octadecanamide.
What is the SMILES notation for N-(2,2,6,6-tetramethylpiperidin-4-yl)octadecanamide?
The canonical SMILES for N-(2,2,6,6-tetramethylpiperidin-4-yl)octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of N-(2,2,6,6-tetramethylpiperidin-4-yl)octadecanamide?
The InChIKey is BJYOZDZOZKVTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54N2O/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(30)28-24-22-26(2,3)29-27(4,5)23-24/h24,29H,6-23H2,1-5H3,(H,28,30).
What are the key properties of N-(2,2,6,6-tetramethylpiperidin-4-yl)octadecanamide?
N-(2,2,6,6-tetramethylpiperidin-4-yl)octadecanamide has a molecular weight of 422.74 g/mol, XLogP of 7.67, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,6,6-tetramethylpiperidin-4-yl)octadecanamide is sourced from PubChem (CID 579966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).