N-(3-methylpiperidin-1-yl)octadecanamide

C24H48N2O — CID 19353467

IUPACN-(3-methylpiperidin-1-yl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NN1CCCC(C)C1
InChIInChI=1S/C24H48N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24(27)25-26-21-18-19-23(2)22-26/h23H,3-22H2,1-2H3,(H,25,27)
InChIKeyGWHWZWQDBQLROH-UHFFFAOYSA-N
MW380.66 g/mol
LogP7.01
Rot. Bonds17

About N-(3-methylpiperidin-1-yl)octadecanamide

N-(3-methylpiperidin-1-yl)octadecanamide (PubChem CID 19353467) has the molecular formula C24H48N2O and a molecular weight of 380.66 g/mol. Its IUPAC name is N-(3-methylpiperidin-1-yl)octadecanamide.

Molecular Properties

Compound NameN-(3-methylpiperidin-1-yl)octadecanamide
PubChem CID19353467
Molecular FormulaC24H48N2O
Molecular Weight380.66 g/mol
Exact Mass380.38
IUPAC NameN-(3-methylpiperidin-1-yl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NN1CCCC(C)C1
InChIInChI=1S/C24H48N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24(27)25-26-21-18-19-23(2)22-26/h23H,3-22H2,1-2H3,(H,25,27)
InChIKeyGWHWZWQDBQLROH-UHFFFAOYSA-N
XLogP7.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.66
LogP ≤ 57.01
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-methylpiperidin-1-yl)octadecanamide?
The IUPAC name of N-(3-methylpiperidin-1-yl)octadecanamide (CID 19353467) is N-(3-methylpiperidin-1-yl)octadecanamide.
What is the SMILES notation for N-(3-methylpiperidin-1-yl)octadecanamide?
The canonical SMILES for N-(3-methylpiperidin-1-yl)octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NN1CCCC(C)C1.
What is the InChIKey of N-(3-methylpiperidin-1-yl)octadecanamide?
The InChIKey is GWHWZWQDBQLROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24(27)25-26-21-18-19-23(2)22-26/h23H,3-22H2,1-2H3,(H,25,27).
What are the key properties of N-(3-methylpiperidin-1-yl)octadecanamide?
N-(3-methylpiperidin-1-yl)octadecanamide has a molecular weight of 380.66 g/mol, XLogP of 7.01, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpiperidin-1-yl)octadecanamide is sourced from PubChem (CID 19353467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).