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

C10H18BrN3O2 — CID 107904221

IUPAC4-(2-bromopropanoyl)-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)C(C)Br)CC1
InChIInChI=1S/C10H18BrN3O2/c1-3-12-10(16)14-6-4-13(5-7-14)9(15)8(2)11/h8H,3-7H2,1-2H3,(H,12,16)
InChIKeyQRWJHMQOMLYECF-UHFFFAOYSA-N
MW292.18 g/mol
LogP0.64
Rot. Bonds2

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

4-(2-bromopropanoyl)-N-ethylpiperazine-1-carboxamide (PubChem CID 107904221) has the molecular formula C10H18BrN3O2 and a molecular weight of 292.18 g/mol. Its IUPAC name is 4-(2-bromopropanoyl)-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-bromopropanoyl)-N-ethylpiperazine-1-carboxamide
PubChem CID107904221
Molecular FormulaC10H18BrN3O2
Molecular Weight292.18 g/mol
Exact Mass291.06
IUPAC Name4-(2-bromopropanoyl)-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)C(C)Br)CC1
InChIInChI=1S/C10H18BrN3O2/c1-3-12-10(16)14-6-4-13(5-7-14)9(15)8(2)11/h8H,3-7H2,1-2H3,(H,12,16)
InChIKeyQRWJHMQOMLYECF-UHFFFAOYSA-N
XLogP0.64
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2-bromopropanoyl)-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

4-[2-(azetidin-3-yl)propanoyl]-N-ethylpiperazine-1-carboxamide
CID 116676223
N-ethyl-4-[2-methyl-3-(methylamino)propanoyl]piperazine-1-carboxamide;hydrochloride
CID 119695730
N-ethyl-4-(2-methylpropyl)piperazine-1-carboxamide
CID 115569927
ethane;N-ethyl-4-methylpiperazine-1-carboxamide
CID 162757758
4-(2-bromoacetyl)-N-ethylpiperazine-1-carboxamide
CID 63679902
N,4-diethylpiperazine-1-carboxamide
CID 22309084
4-[2-(aminomethyl)-4,4-dimethylpentanoyl]-N-ethylpiperazine-1-carboxamide
CID 107471510
4-(3-aminobutanoyl)-N-ethylpiperazine-1-carboxamide;hydrochloride
CID 119695739
N-ethylpiperazine-1-carboxamide
CID 9207783
4-[(2R)-2-amino-4-methylsulfanylbutanoyl]-N-ethylpiperazine-1-carboxamide
CID 104907641
(2S)-2-aminopropanoic acid;N-ethylpyrrolidine-1-carboxamide
CID 175256682
4-(3-amino-2-methyl-3-phenylpropanoyl)-N-ethylpiperazine-1-carboxamide
CID 119695716

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromopropanoyl)-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-(2-bromopropanoyl)-N-ethylpiperazine-1-carboxamide (CID 107904221) is 4-(2-bromopropanoyl)-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2-bromopropanoyl)-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2-bromopropanoyl)-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(C(=O)C(C)Br)CC1.
What is the InChIKey of 4-(2-bromopropanoyl)-N-ethylpiperazine-1-carboxamide?
The InChIKey is QRWJHMQOMLYECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrN3O2/c1-3-12-10(16)14-6-4-13(5-7-14)9(15)8(2)11/h8H,3-7H2,1-2H3,(H,12,16).
What are the key properties of 4-(2-bromopropanoyl)-N-ethylpiperazine-1-carboxamide?
4-(2-bromopropanoyl)-N-ethylpiperazine-1-carboxamide has a molecular weight of 292.18 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromopropanoyl)-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 107904221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).