N-ethyl-2-(4-prop-2-enoylpiperazin-1-yl)acetamide;hydrochloride

C11H20ClN3O2 — CID 173287477

IUPACN-ethyl-2-(4-prop-2-enoylpiperazin-1-yl)acetamide;hydrochloride
SMILESC=CC(=O)N1CCN(CC(=O)NCC)CC1.Cl
InChIInChI=1S/C11H19N3O2.ClH/c1-3-11(16)14-7-5-13(6-8-14)9-10(15)12-4-2;/h3H,1,4-9H2,2H3,(H,12,15);1H
InChIKeyABHXYUCMQITMBR-UHFFFAOYSA-N
MW261.75 g/mol
LogP-0.13
Rot. Bonds4

About N-ethyl-2-(4-prop-2-enoylpiperazin-1-yl)acetamide;hydrochloride

N-ethyl-2-(4-prop-2-enoylpiperazin-1-yl)acetamide;hydrochloride (PubChem CID 173287477) has the molecular formula C11H20ClN3O2 and a molecular weight of 261.75 g/mol. Its IUPAC name is N-ethyl-2-(4-prop-2-enoylpiperazin-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-ethyl-2-(4-prop-2-enoylpiperazin-1-yl)acetamide;hydrochloride
PubChem CID173287477
Molecular FormulaC11H20ClN3O2
Molecular Weight261.75 g/mol
Exact Mass261.12
IUPAC NameN-ethyl-2-(4-prop-2-enoylpiperazin-1-yl)acetamide;hydrochloride
SMILESC=CC(=O)N1CCN(CC(=O)NCC)CC1.Cl
InChIInChI=1S/C11H19N3O2.ClH/c1-3-11(16)14-7-5-13(6-8-14)9-10(15)12-4-2;/h3H,1,4-9H2,2H3,(H,12,15);1H
InChIKeyABHXYUCMQITMBR-UHFFFAOYSA-N
XLogP-0.13
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-ethyl-2-(4-prop-2-enoylpiperazin-1-yl)acetamide;hydrochloride 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

2-(azetidin-1-yl)-N-ethylacetamide
CID 129266397
ethane;N-ethyl-2-pyrrolidin-1-ylacetamide
CID 144584816
2-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]-N-ethylacetamide
CID 54995847
2-[4-(4-aminobenzoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride
CID 119843977
N-ethyl-2-[4-[3-(ethylamino)propanoyl]piperazin-1-yl]acetamide
CID 62834367
2-[4-[2-(ethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]acetic acid
CID 55119243
N-ethyl-2-[4-[2-oxo-2-(prop-2-ynylamino)ethyl]piperazin-1-yl]acetamide
CID 36892657
4-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]-2,3-dimethyl-4-oxobutanoic acid
CID 103497635
2-[4-[2-(ethylcarbamoylamino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 30967520
2-[4-(3-chloro-2,2-dimethylpropanoyl)piperazin-1-yl]-N-ethylacetamide
CID 63681324
2-[4-(2-amino-3-methylbutanoyl)piperazin-1-yl]-N-ethylacetamide
CID 54870603
2-[4-(4-chlorobutanoyl)piperazin-1-yl]-N-ethylacetamide
CID 63307721

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-prop-2-enoylpiperazin-1-yl)acetamide;hydrochloride?
The IUPAC name of N-ethyl-2-(4-prop-2-enoylpiperazin-1-yl)acetamide;hydrochloride (CID 173287477) is N-ethyl-2-(4-prop-2-enoylpiperazin-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-ethyl-2-(4-prop-2-enoylpiperazin-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-ethyl-2-(4-prop-2-enoylpiperazin-1-yl)acetamide;hydrochloride is C=CC(=O)N1CCN(CC(=O)NCC)CC1.Cl.
What is the InChIKey of N-ethyl-2-(4-prop-2-enoylpiperazin-1-yl)acetamide;hydrochloride?
The InChIKey is ABHXYUCMQITMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2.ClH/c1-3-11(16)14-7-5-13(6-8-14)9-10(15)12-4-2;/h3H,1,4-9H2,2H3,(H,12,15);1H.
What are the key properties of N-ethyl-2-(4-prop-2-enoylpiperazin-1-yl)acetamide;hydrochloride?
N-ethyl-2-(4-prop-2-enoylpiperazin-1-yl)acetamide;hydrochloride has a molecular weight of 261.75 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-prop-2-enoylpiperazin-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 173287477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).