16-methyl-2-(2-piperazin-1-ylethyl)heptadecanamide

C24H49N3O — CID 141470628

IUPAC16-methyl-2-(2-piperazin-1-ylethyl)heptadecanamide
SMILESCC(C)CCCCCCCCCCCCCC(CCN1CCNCC1)C(N)=O
InChIInChI=1S/C24H49N3O/c1-22(2)14-12-10-8-6-4-3-5-7-9-11-13-15-23(24(25)28)16-19-27-20-17-26-18-21-27/h22-23,26H,3-21H2,1-2H3,(H2,25,28)
InChIKeyAUUUYIGYCYIJEF-UHFFFAOYSA-N
MW395.68 g/mol
LogP5.11
Rot. Bonds18

About 16-methyl-2-(2-piperazin-1-ylethyl)heptadecanamide

16-methyl-2-(2-piperazin-1-ylethyl)heptadecanamide (PubChem CID 141470628) has the molecular formula C24H49N3O and a molecular weight of 395.68 g/mol. Its IUPAC name is 16-methyl-2-(2-piperazin-1-ylethyl)heptadecanamide.

Molecular Properties

Compound Name16-methyl-2-(2-piperazin-1-ylethyl)heptadecanamide
PubChem CID141470628
Molecular FormulaC24H49N3O
Molecular Weight395.68 g/mol
Exact Mass395.39
IUPAC Name16-methyl-2-(2-piperazin-1-ylethyl)heptadecanamide
SMILESCC(C)CCCCCCCCCCCCCC(CCN1CCNCC1)C(N)=O
InChIInChI=1S/C24H49N3O/c1-22(2)14-12-10-8-6-4-3-5-7-9-11-13-15-23(24(25)28)16-19-27-20-17-26-18-21-27/h22-23,26H,3-21H2,1-2H3,(H2,25,28)
InChIKeyAUUUYIGYCYIJEF-UHFFFAOYSA-N
XLogP5.11
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.68
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 16-methyl-2-(2-piperazin-1-ylethyl)heptadecanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(8-methylnonyl)piperazine
CID 170614920
2-(2-piperazin-1-ylethyl)hexanoic acid
CID 142749407
1-(5-methylhexyl)-1,5-diazocane
CID 115326852
4-methyl-N-(4-piperazin-1-ylbutyl)pentan-1-amine
CID 115240408
4-piperazin-1-ylbutan-2-ol;dihydrochloride
CID 141116403
2-methyl-3-[methyl(2-piperazin-1-ylethyl)amino]propanamide
CID 63265226
2-(1,4-diazepan-1-yl)-N-(7-methyloctyl)acetamide
CID 62839599
2,8-dimethyl-N-(7-piperazin-1-ylheptyl)nonan-5-amine
CID 70378610
1-[(6R)-6-methoxy-10,10-dimethylundecyl]piperazine
CID 118887793
4-methyl-1-piperazin-1-ylpentan-3-amine
CID 116939882
1-(6-methylheptyl)-4-(3-piperidin-4-ylpropyl)piperidine
CID 123314475
1-(2,6-dimethylheptan-2-yl)piperazine
CID 116931981

Frequently Asked Questions

What is the IUPAC name of 16-methyl-2-(2-piperazin-1-ylethyl)heptadecanamide?
The IUPAC name of 16-methyl-2-(2-piperazin-1-ylethyl)heptadecanamide (CID 141470628) is 16-methyl-2-(2-piperazin-1-ylethyl)heptadecanamide.
What is the SMILES notation for 16-methyl-2-(2-piperazin-1-ylethyl)heptadecanamide?
The canonical SMILES for 16-methyl-2-(2-piperazin-1-ylethyl)heptadecanamide is CC(C)CCCCCCCCCCCCCC(CCN1CCNCC1)C(N)=O.
What is the InChIKey of 16-methyl-2-(2-piperazin-1-ylethyl)heptadecanamide?
The InChIKey is AUUUYIGYCYIJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49N3O/c1-22(2)14-12-10-8-6-4-3-5-7-9-11-13-15-23(24(25)28)16-19-27-20-17-26-18-21-27/h22-23,26H,3-21H2,1-2H3,(H2,25,28).
What are the key properties of 16-methyl-2-(2-piperazin-1-ylethyl)heptadecanamide?
16-methyl-2-(2-piperazin-1-ylethyl)heptadecanamide has a molecular weight of 395.68 g/mol, XLogP of 5.11, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-methyl-2-(2-piperazin-1-ylethyl)heptadecanamide is sourced from PubChem (CID 141470628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).