1-[(4-methyl-5-piperazin-1-ylpentyl)amino]propan-2-one

C13H27N3O — CID 129151145

IUPAC1-[(4-methyl-5-piperazin-1-ylpentyl)amino]propan-2-one
SMILESCC(=O)CNCCCC(C)CN1CCNCC1
InChIInChI=1S/C13H27N3O/c1-12(4-3-5-15-10-13(2)17)11-16-8-6-14-7-9-16/h12,14-15H,3-11H2,1-2H3
InChIKeyZBAYLQXTYJIAAX-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.49
Rot. Bonds8

About 1-[(4-methyl-5-piperazin-1-ylpentyl)amino]propan-2-one

1-[(4-methyl-5-piperazin-1-ylpentyl)amino]propan-2-one (PubChem CID 129151145) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-[(4-methyl-5-piperazin-1-ylpentyl)amino]propan-2-one.

Molecular Properties

Compound Name1-[(4-methyl-5-piperazin-1-ylpentyl)amino]propan-2-one
PubChem CID129151145
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name1-[(4-methyl-5-piperazin-1-ylpentyl)amino]propan-2-one
SMILESCC(=O)CNCCCC(C)CN1CCNCC1
InChIInChI=1S/C13H27N3O/c1-12(4-3-5-15-10-13(2)17)11-16-8-6-14-7-9-16/h12,14-15H,3-11H2,1-2H3
InChIKeyZBAYLQXTYJIAAX-UHFFFAOYSA-N
XLogP0.49
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 1-[(4-methyl-5-piperazin-1-ylpentyl)amino]propan-2-one?
The IUPAC name of 1-[(4-methyl-5-piperazin-1-ylpentyl)amino]propan-2-one (CID 129151145) is 1-[(4-methyl-5-piperazin-1-ylpentyl)amino]propan-2-one.
What is the SMILES notation for 1-[(4-methyl-5-piperazin-1-ylpentyl)amino]propan-2-one?
The canonical SMILES for 1-[(4-methyl-5-piperazin-1-ylpentyl)amino]propan-2-one is CC(=O)CNCCCC(C)CN1CCNCC1.
What is the InChIKey of 1-[(4-methyl-5-piperazin-1-ylpentyl)amino]propan-2-one?
The InChIKey is ZBAYLQXTYJIAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-12(4-3-5-15-10-13(2)17)11-16-8-6-14-7-9-16/h12,14-15H,3-11H2,1-2H3.
What are the key properties of 1-[(4-methyl-5-piperazin-1-ylpentyl)amino]propan-2-one?
1-[(4-methyl-5-piperazin-1-ylpentyl)amino]propan-2-one has a molecular weight of 241.38 g/mol, XLogP of 0.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-5-piperazin-1-ylpentyl)amino]propan-2-one is sourced from PubChem (CID 129151145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).