N-(1,2,2,6,6-pentamethylpiperidin-4-yl)octadecanamide

C28H56N2O — CID 18998999

IUPACN-(1,2,2,6,6-pentamethylpiperidin-4-yl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C28H56N2O/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26(31)29-25-23-27(2,3)30(6)28(4,5)24-25/h25H,7-24H2,1-6H3,(H,29,31)
InChIKeyMBMDSJRAPOKGNE-UHFFFAOYSA-N
MW436.77 g/mol
LogP8.02
Rot. Bonds17

About N-(1,2,2,6,6-pentamethylpiperidin-4-yl)octadecanamide

N-(1,2,2,6,6-pentamethylpiperidin-4-yl)octadecanamide (PubChem CID 18998999) has the molecular formula C28H56N2O and a molecular weight of 436.77 g/mol. Its IUPAC name is N-(1,2,2,6,6-pentamethylpiperidin-4-yl)octadecanamide.

Molecular Properties

Compound NameN-(1,2,2,6,6-pentamethylpiperidin-4-yl)octadecanamide
PubChem CID18998999
Molecular FormulaC28H56N2O
Molecular Weight436.77 g/mol
Exact Mass436.44
IUPAC NameN-(1,2,2,6,6-pentamethylpiperidin-4-yl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C28H56N2O/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26(31)29-25-23-27(2,3)30(6)28(4,5)24-25/h25H,7-24H2,1-6H3,(H,29,31)
InChIKeyMBMDSJRAPOKGNE-UHFFFAOYSA-N
XLogP8.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.77
LogP ≤ 58.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(1,2,2,6,6-pentamethylpiperidin-4-yl)octadecanamide?
The IUPAC name of N-(1,2,2,6,6-pentamethylpiperidin-4-yl)octadecanamide (CID 18998999) is N-(1,2,2,6,6-pentamethylpiperidin-4-yl)octadecanamide.
What is the SMILES notation for N-(1,2,2,6,6-pentamethylpiperidin-4-yl)octadecanamide?
The canonical SMILES for N-(1,2,2,6,6-pentamethylpiperidin-4-yl)octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NC1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of N-(1,2,2,6,6-pentamethylpiperidin-4-yl)octadecanamide?
The InChIKey is MBMDSJRAPOKGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56N2O/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26(31)29-25-23-27(2,3)30(6)28(4,5)24-25/h25H,7-24H2,1-6H3,(H,29,31).
What are the key properties of N-(1,2,2,6,6-pentamethylpiperidin-4-yl)octadecanamide?
N-(1,2,2,6,6-pentamethylpiperidin-4-yl)octadecanamide has a molecular weight of 436.77 g/mol, XLogP of 8.02, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,2,6,6-pentamethylpiperidin-4-yl)octadecanamide is sourced from PubChem (CID 18998999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).