N-(1-benzylpiperidin-4-yl)hexadecanamide

C28H48N2O — CID 46230473

IUPACN-(1-benzylpiperidin-4-yl)hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C28H48N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-28(31)29-27-21-23-30(24-22-27)25-26-18-15-14-16-19-26/h14-16,18-19,27H,2-13,17,20-25H2,1H3,(H,29,31)
InChIKeyBFGCYYVKJZKPTQ-UHFFFAOYSA-N
MW428.71 g/mol
LogP7.25
Rot. Bonds17

About N-(1-benzylpiperidin-4-yl)hexadecanamide

N-(1-benzylpiperidin-4-yl)hexadecanamide (PubChem CID 46230473) has the molecular formula C28H48N2O and a molecular weight of 428.71 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)hexadecanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)hexadecanamide
PubChem CID46230473
Molecular FormulaC28H48N2O
Molecular Weight428.71 g/mol
Exact Mass428.38
IUPAC NameN-(1-benzylpiperidin-4-yl)hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C28H48N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-28(31)29-27-21-23-30(24-22-27)25-26-18-15-14-16-19-26/h14-16,18-19,27H,2-13,17,20-25H2,1H3,(H,29,31)
InChIKeyBFGCYYVKJZKPTQ-UHFFFAOYSA-N
XLogP7.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.71
LogP ≤ 57.25
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-benzylpiperidin-4-yl)hexadecanamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)hexadecanamide (CID 46230473) is N-(1-benzylpiperidin-4-yl)hexadecanamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)hexadecanamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)hexadecanamide is CCCCCCCCCCCCCCCC(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)hexadecanamide?
The InChIKey is BFGCYYVKJZKPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H48N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-28(31)29-27-21-23-30(24-22-27)25-26-18-15-14-16-19-26/h14-16,18-19,27H,2-13,17,20-25H2,1H3,(H,29,31).
What are the key properties of N-(1-benzylpiperidin-4-yl)hexadecanamide?
N-(1-benzylpiperidin-4-yl)hexadecanamide has a molecular weight of 428.71 g/mol, XLogP of 7.25, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)hexadecanamide is sourced from PubChem (CID 46230473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).