5-bromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]pentanamide

C12H24BrN3O — CID 107910113

IUPAC5-bromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]pentanamide
SMILESCN1CCN(C)C(CNC(=O)CCCCBr)C1
InChIInChI=1S/C12H24BrN3O/c1-15-7-8-16(2)11(10-15)9-14-12(17)5-3-4-6-13/h11H,3-10H2,1-2H3,(H,14,17)
InChIKeyOZYOIGOHNRILHY-UHFFFAOYSA-N
MW306.25 g/mol
LogP0.91
Rot. Bonds6

About 5-bromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]pentanamide

5-bromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]pentanamide (PubChem CID 107910113) has the molecular formula C12H24BrN3O and a molecular weight of 306.25 g/mol. Its IUPAC name is 5-bromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]pentanamide.

Molecular Properties

Compound Name5-bromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]pentanamide
PubChem CID107910113
Molecular FormulaC12H24BrN3O
Molecular Weight306.25 g/mol
Exact Mass305.11
IUPAC Name5-bromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]pentanamide
SMILESCN1CCN(C)C(CNC(=O)CCCCBr)C1
InChIInChI=1S/C12H24BrN3O/c1-15-7-8-16(2)11(10-15)9-14-12(17)5-3-4-6-13/h11H,3-10H2,1-2H3,(H,14,17)
InChIKeyOZYOIGOHNRILHY-UHFFFAOYSA-N
XLogP0.91
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]pentanamide?
The IUPAC name of 5-bromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]pentanamide (CID 107910113) is 5-bromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]pentanamide.
What is the SMILES notation for 5-bromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]pentanamide?
The canonical SMILES for 5-bromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]pentanamide is CN1CCN(C)C(CNC(=O)CCCCBr)C1.
What is the InChIKey of 5-bromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]pentanamide?
The InChIKey is OZYOIGOHNRILHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrN3O/c1-15-7-8-16(2)11(10-15)9-14-12(17)5-3-4-6-13/h11H,3-10H2,1-2H3,(H,14,17).
What are the key properties of 5-bromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]pentanamide?
5-bromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]pentanamide has a molecular weight of 306.25 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]pentanamide is sourced from PubChem (CID 107910113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).