N-(4-methylpiperazin-1-yl)dodecanamide

C17H35N3O — CID 3590549

IUPACN-(4-methylpiperazin-1-yl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NN1CCN(C)CC1
InChIInChI=1S/C17H35N3O/c1-3-4-5-6-7-8-9-10-11-12-17(21)18-20-15-13-19(2)14-16-20/h3-16H2,1-2H3,(H,18,21)
InChIKeyOBFBWARTVXYTET-UHFFFAOYSA-N
MW297.49 g/mol
LogP3.19
Rot. Bonds11

About N-(4-methylpiperazin-1-yl)dodecanamide

N-(4-methylpiperazin-1-yl)dodecanamide (PubChem CID 3590549) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is N-(4-methylpiperazin-1-yl)dodecanamide.

Molecular Properties

Compound NameN-(4-methylpiperazin-1-yl)dodecanamide
PubChem CID3590549
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC NameN-(4-methylpiperazin-1-yl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NN1CCN(C)CC1
InChIInChI=1S/C17H35N3O/c1-3-4-5-6-7-8-9-10-11-12-17(21)18-20-15-13-19(2)14-16-20/h3-16H2,1-2H3,(H,18,21)
InChIKeyOBFBWARTVXYTET-UHFFFAOYSA-N
XLogP3.19
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylpiperazin-1-yl)butanamide
CID 4129194
N-morpholin-4-yloctadec-9-enamide
CID 91252017
N-[4-(4-fluorophenyl)piperazin-1-yl]hexadecanamide
CID 46230417
1-(4-methylpiperazin-1-yl)heptadecan-1-one
CID 10043612
1-(4-methylpiperazin-1-yl)hexan-1-one
CID 3470875
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]octanamide
CID 56517889
N-(azepan-1-yl)butanamide
CID 67379865
4-methyl-N-octylpiperazin-1-amine
CID 83010569
1-N',9-N'-di(heptanoyl)nonanedihydrazide
CID 154340616
N-decanoyldecanamide
CID 87914075
hexadecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate
CID 118924385
2-cyano-N-(4-methylpiperazin-1-yl)acetamide
CID 3643961

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperazin-1-yl)dodecanamide?
The IUPAC name of N-(4-methylpiperazin-1-yl)dodecanamide (CID 3590549) is N-(4-methylpiperazin-1-yl)dodecanamide.
What is the SMILES notation for N-(4-methylpiperazin-1-yl)dodecanamide?
The canonical SMILES for N-(4-methylpiperazin-1-yl)dodecanamide is CCCCCCCCCCCC(=O)NN1CCN(C)CC1.
What is the InChIKey of N-(4-methylpiperazin-1-yl)dodecanamide?
The InChIKey is OBFBWARTVXYTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-3-4-5-6-7-8-9-10-11-12-17(21)18-20-15-13-19(2)14-16-20/h3-16H2,1-2H3,(H,18,21).
What are the key properties of N-(4-methylpiperazin-1-yl)dodecanamide?
N-(4-methylpiperazin-1-yl)dodecanamide has a molecular weight of 297.49 g/mol, XLogP of 3.19, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperazin-1-yl)dodecanamide is sourced from PubChem (CID 3590549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).