2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-prop-2-enylacetamide

C14H19BrN4O — CID 37406824

IUPAC2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C14H19BrN4O/c1-2-5-16-14(20)11-18-6-8-19(9-7-18)13-4-3-12(15)10-17-13/h2-4,10H,1,5-9,11H2,(H,16,20)
InChIKeyZFNAHDYRPITXNF-UHFFFAOYSA-N
MW339.24 g/mol
LogP1.27
Rot. Bonds5

About 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-prop-2-enylacetamide

2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-prop-2-enylacetamide (PubChem CID 37406824) has the molecular formula C14H19BrN4O and a molecular weight of 339.24 g/mol. Its IUPAC name is 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-prop-2-enylacetamide
PubChem CID37406824
Molecular FormulaC14H19BrN4O
Molecular Weight339.24 g/mol
Exact Mass338.07
IUPAC Name2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C14H19BrN4O/c1-2-5-16-14(20)11-18-6-8-19(9-7-18)13-4-3-12(15)10-17-13/h2-4,10H,1,5-9,11H2,(H,16,20)
InChIKeyZFNAHDYRPITXNF-UHFFFAOYSA-N
XLogP1.27
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-enyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 38522896
N-prop-2-enyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]acetamide
CID 26652997
2-[4-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 55470568
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-chlorophenyl)acetamide
CID 37406520
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 37407100
N-(prop-2-enylcarbamoyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 46802067
N-(prop-2-enylcarbamoyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 7998646
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 46429199
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 37406662
(2S)-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]hex-5-en-2-ol
CID 97321060
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
CID 46444722
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 37407972

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-prop-2-enylacetamide (CID 37406824) is 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CN1CCN(c2ccc(Br)cn2)CC1.
What is the InChIKey of 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-prop-2-enylacetamide?
The InChIKey is ZFNAHDYRPITXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4O/c1-2-5-16-14(20)11-18-6-8-19(9-7-18)13-4-3-12(15)10-17-13/h2-4,10H,1,5-9,11H2,(H,16,20).
What are the key properties of 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-prop-2-enylacetamide?
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 339.24 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 37406824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).