N-(3,5-dimethylpiperidin-1-yl)octadecanamide

C25H50N2O — CID 19353466

IUPACN-(3,5-dimethylpiperidin-1-yl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NN1CC(C)CC(C)C1
InChIInChI=1S/C25H50N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)26-27-21-23(2)20-24(3)22-27/h23-24H,4-22H2,1-3H3,(H,26,28)
InChIKeyAAPKPYIICTXKQM-UHFFFAOYSA-N
MW394.69 g/mol
LogP7.26
Rot. Bonds17

About N-(3,5-dimethylpiperidin-1-yl)octadecanamide

N-(3,5-dimethylpiperidin-1-yl)octadecanamide (PubChem CID 19353466) has the molecular formula C25H50N2O and a molecular weight of 394.69 g/mol. Its IUPAC name is N-(3,5-dimethylpiperidin-1-yl)octadecanamide.

Molecular Properties

Compound NameN-(3,5-dimethylpiperidin-1-yl)octadecanamide
PubChem CID19353466
Molecular FormulaC25H50N2O
Molecular Weight394.69 g/mol
Exact Mass394.39
IUPAC NameN-(3,5-dimethylpiperidin-1-yl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NN1CC(C)CC(C)C1
InChIInChI=1S/C25H50N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)26-27-21-23(2)20-24(3)22-27/h23-24H,4-22H2,1-3H3,(H,26,28)
InChIKeyAAPKPYIICTXKQM-UHFFFAOYSA-N
XLogP7.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.69
LogP ≤ 57.26
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-(3,5-dimethylpiperidin-1-yl)octadecanamide?
The IUPAC name of N-(3,5-dimethylpiperidin-1-yl)octadecanamide (CID 19353466) is N-(3,5-dimethylpiperidin-1-yl)octadecanamide.
What is the SMILES notation for N-(3,5-dimethylpiperidin-1-yl)octadecanamide?
The canonical SMILES for N-(3,5-dimethylpiperidin-1-yl)octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NN1CC(C)CC(C)C1.
What is the InChIKey of N-(3,5-dimethylpiperidin-1-yl)octadecanamide?
The InChIKey is AAPKPYIICTXKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)26-27-21-23(2)20-24(3)22-27/h23-24H,4-22H2,1-3H3,(H,26,28).
What are the key properties of N-(3,5-dimethylpiperidin-1-yl)octadecanamide?
N-(3,5-dimethylpiperidin-1-yl)octadecanamide has a molecular weight of 394.69 g/mol, XLogP of 7.26, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylpiperidin-1-yl)octadecanamide is sourced from PubChem (CID 19353466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).