16-methyl-N-piperazin-1-ylheptadecanamide

C22H45N3O — CID 90710056

IUPAC16-methyl-N-piperazin-1-ylheptadecanamide
SMILESCC(C)CCCCCCCCCCCCCCC(=O)NN1CCNCC1
InChIInChI=1S/C22H45N3O/c1-21(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-22(26)24-25-19-17-23-18-20-25/h21,23H,3-20H2,1-2H3,(H,24,26)
InChIKeyCCFAJHYPXIIISN-UHFFFAOYSA-N
MW367.62 g/mol
LogP5.04
Rot. Bonds16

About 16-methyl-N-piperazin-1-ylheptadecanamide

16-methyl-N-piperazin-1-ylheptadecanamide (PubChem CID 90710056) has the molecular formula C22H45N3O and a molecular weight of 367.62 g/mol. Its IUPAC name is 16-methyl-N-piperazin-1-ylheptadecanamide.

Molecular Properties

Compound Name16-methyl-N-piperazin-1-ylheptadecanamide
PubChem CID90710056
Molecular FormulaC22H45N3O
Molecular Weight367.62 g/mol
Exact Mass367.36
IUPAC Name16-methyl-N-piperazin-1-ylheptadecanamide
SMILESCC(C)CCCCCCCCCCCCCCC(=O)NN1CCNCC1
InChIInChI=1S/C22H45N3O/c1-21(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-22(26)24-25-19-17-23-18-20-25/h21,23H,3-20H2,1-2H3,(H,24,26)
InChIKeyCCFAJHYPXIIISN-UHFFFAOYSA-N
XLogP5.04
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.62
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 16-methyl-N-piperazin-1-ylheptadecanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 16-methyl-N-piperazin-1-ylheptadecanamide?
The IUPAC name of 16-methyl-N-piperazin-1-ylheptadecanamide (CID 90710056) is 16-methyl-N-piperazin-1-ylheptadecanamide.
What is the SMILES notation for 16-methyl-N-piperazin-1-ylheptadecanamide?
The canonical SMILES for 16-methyl-N-piperazin-1-ylheptadecanamide is CC(C)CCCCCCCCCCCCCCC(=O)NN1CCNCC1.
What is the InChIKey of 16-methyl-N-piperazin-1-ylheptadecanamide?
The InChIKey is CCFAJHYPXIIISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45N3O/c1-21(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-22(26)24-25-19-17-23-18-20-25/h21,23H,3-20H2,1-2H3,(H,24,26).
What are the key properties of 16-methyl-N-piperazin-1-ylheptadecanamide?
16-methyl-N-piperazin-1-ylheptadecanamide has a molecular weight of 367.62 g/mol, XLogP of 5.04, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-methyl-N-piperazin-1-ylheptadecanamide is sourced from PubChem (CID 90710056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).