N-piperazin-1-ylpentadecanamide;dihydrochloride

C19H41Cl2N3O — CID 11675663

IUPACN-piperazin-1-ylpentadecanamide;dihydrochloride
SMILESCCCCCCCCCCCCCCC(=O)NN1CCNCC1.Cl.Cl
InChIInChI=1S/C19H39N3O.2ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19(23)21-22-17-15-20-16-18-22;;/h20H,2-18H2,1H3,(H,21,23);2*1H
InChIKeyREUHOKGZFJCYLI-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.86
Rot. Bonds14

About N-piperazin-1-ylpentadecanamide;dihydrochloride

N-piperazin-1-ylpentadecanamide;dihydrochloride (PubChem CID 11675663) has the molecular formula C19H41Cl2N3O and a molecular weight of 398.46 g/mol. Its IUPAC name is N-piperazin-1-ylpentadecanamide;dihydrochloride.

Molecular Properties

Compound NameN-piperazin-1-ylpentadecanamide;dihydrochloride
PubChem CID11675663
Molecular FormulaC19H41Cl2N3O
Molecular Weight398.46 g/mol
Exact Mass397.26
IUPAC NameN-piperazin-1-ylpentadecanamide;dihydrochloride
SMILESCCCCCCCCCCCCCCC(=O)NN1CCNCC1.Cl.Cl
InChIInChI=1S/C19H39N3O.2ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19(23)21-22-17-15-20-16-18-22;;/h20H,2-18H2,1H3,(H,21,23);2*1H
InChIKeyREUHOKGZFJCYLI-UHFFFAOYSA-N
XLogP4.86
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-piperazin-1-ylpentadecanamide;dihydrochloride?
The IUPAC name of N-piperazin-1-ylpentadecanamide;dihydrochloride (CID 11675663) is N-piperazin-1-ylpentadecanamide;dihydrochloride.
What is the SMILES notation for N-piperazin-1-ylpentadecanamide;dihydrochloride?
The canonical SMILES for N-piperazin-1-ylpentadecanamide;dihydrochloride is CCCCCCCCCCCCCCC(=O)NN1CCNCC1.Cl.Cl.
What is the InChIKey of N-piperazin-1-ylpentadecanamide;dihydrochloride?
The InChIKey is REUHOKGZFJCYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N3O.2ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19(23)21-22-17-15-20-16-18-22;;/h20H,2-18H2,1H3,(H,21,23);2*1H.
What are the key properties of N-piperazin-1-ylpentadecanamide;dihydrochloride?
N-piperazin-1-ylpentadecanamide;dihydrochloride has a molecular weight of 398.46 g/mol, XLogP of 4.86, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperazin-1-ylpentadecanamide;dihydrochloride is sourced from PubChem (CID 11675663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).