4-(2-bromoacetyl)-N-ethylpiperazine-1-carboxamide

C9H16BrN3O2 — CID 63679902

IUPAC4-(2-bromoacetyl)-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)CBr)CC1
InChIInChI=1S/C9H16BrN3O2/c1-2-11-9(15)13-5-3-12(4-6-13)8(14)7-10/h2-7H2,1H3,(H,11,15)
InChIKeyPJIITLJCMPIMIR-UHFFFAOYSA-N
MW278.15 g/mol
LogP0.25
Rot. Bonds2

About 4-(2-bromoacetyl)-N-ethylpiperazine-1-carboxamide

4-(2-bromoacetyl)-N-ethylpiperazine-1-carboxamide (PubChem CID 63679902) has the molecular formula C9H16BrN3O2 and a molecular weight of 278.15 g/mol. Its IUPAC name is 4-(2-bromoacetyl)-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-bromoacetyl)-N-ethylpiperazine-1-carboxamide
PubChem CID63679902
Molecular FormulaC9H16BrN3O2
Molecular Weight278.15 g/mol
Exact Mass277.04
IUPAC Name4-(2-bromoacetyl)-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)CBr)CC1
InChIInChI=1S/C9H16BrN3O2/c1-2-11-9(15)13-5-3-12(4-6-13)8(14)7-10/h2-7H2,1H3,(H,11,15)
InChIKeyPJIITLJCMPIMIR-UHFFFAOYSA-N
XLogP0.25
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2-bromoacetyl)-N-ethylpiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;N-ethyl-4-methylpiperazine-1-carboxamide
CID 162757758
N,4-diethylpiperazine-1-carboxamide
CID 22309084
4-[2-(tert-butylamino)acetyl]-N-ethylpiperazine-1-carboxamide
CID 112723929
4-(2-bromopropanoyl)-N-ethylpiperazine-1-carboxamide
CID 107904221
4-(3-aminobutanoyl)-N-ethylpiperazine-1-carboxamide;hydrochloride
CID 119695739
2-bromo-1-(4-methylpiperazin-1-yl)ethanone;chloromethane
CID 161165311
N-ethylpiperazine-1-carboxamide
CID 9207783
4-(6-amino-4,4-dimethylhexanoyl)-N-ethylpiperazine-1-carboxamide
CID 65290869
N-ethyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazine-1-carboxamide;hydrochloride
CID 120980560
4-(1-aminocyclobutanecarbonyl)-N-ethylpiperazine-1-carboxamide
CID 81173172
N-ethyl-4-(2-methylpropyl)piperazine-1-carboxamide
CID 115569927
N-ethyl-4-(2-piperidin-4-ylsulfanylacetyl)piperazine-1-carboxamide
CID 114626929

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoacetyl)-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-(2-bromoacetyl)-N-ethylpiperazine-1-carboxamide (CID 63679902) is 4-(2-bromoacetyl)-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2-bromoacetyl)-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2-bromoacetyl)-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(C(=O)CBr)CC1.
What is the InChIKey of 4-(2-bromoacetyl)-N-ethylpiperazine-1-carboxamide?
The InChIKey is PJIITLJCMPIMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrN3O2/c1-2-11-9(15)13-5-3-12(4-6-13)8(14)7-10/h2-7H2,1H3,(H,11,15).
What are the key properties of 4-(2-bromoacetyl)-N-ethylpiperazine-1-carboxamide?
4-(2-bromoacetyl)-N-ethylpiperazine-1-carboxamide has a molecular weight of 278.15 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoacetyl)-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 63679902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).