2-[4-(2-chloroacetyl)piperazin-1-yl]-N,N-dimethylacetamide

C10H18ClN3O2 — CID 4961961

IUPAC2-[4-(2-chloroacetyl)piperazin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCN(C(=O)CCl)CC1
InChIInChI=1S/C10H18ClN3O2/c1-12(2)10(16)8-13-3-5-14(6-4-13)9(15)7-11/h3-8H2,1-2H3
InChIKeyPQWDXFOGIQKLII-UHFFFAOYSA-N
MW247.73 g/mol
LogP-0.54
Rot. Bonds3

About 2-[4-(2-chloroacetyl)piperazin-1-yl]-N,N-dimethylacetamide

2-[4-(2-chloroacetyl)piperazin-1-yl]-N,N-dimethylacetamide (PubChem CID 4961961) has the molecular formula C10H18ClN3O2 and a molecular weight of 247.73 g/mol. Its IUPAC name is 2-[4-(2-chloroacetyl)piperazin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(2-chloroacetyl)piperazin-1-yl]-N,N-dimethylacetamide
PubChem CID4961961
Molecular FormulaC10H18ClN3O2
Molecular Weight247.73 g/mol
Exact Mass247.11
IUPAC Name2-[4-(2-chloroacetyl)piperazin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCN(C(=O)CCl)CC1
InChIInChI=1S/C10H18ClN3O2/c1-12(2)10(16)8-13-3-5-14(6-4-13)9(15)7-11/h3-8H2,1-2H3
InChIKeyPQWDXFOGIQKLII-UHFFFAOYSA-N
XLogP-0.54
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 5-0.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-(2-chloroacetyl)piperazin-1-yl]-N,N-dimethylacetamide 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-Chloro-1-[4-(2-chloroacetyl)piperazin-1-yl]-ethanone
CID 237575
2-Chloro-1-(4-methylpiperazin-1-yl)ethanone
CID 818173
2-[4-(2-chloroacetyl)piperazin-1-yl]-N,N-dimethylacetamide hydrochloride
CID 16196297
1-[4-(2,2-Dichloroacetyl)piperazinyl]-2,2-dichloroethan-1-one
CID 237576
Acetamide, 2-(bis(2-chloroethyl)amino)-N,N-diethyl-, hydrochloride (1:1)
CID 121121
Piperazine, 1,4-bis((bis(2-chloroethyl)amino)acetyl)-, dihydrochloride
CID 121166
1-(4-Acetylpiperazin-1-yl)-2-chloroethan-1-one
CID 2050526
2-Chloro-1-(4-methylpiperazin-1-yl)ethan-1-one hydrochloride
CID 12563661
1-Acetyl-4-(2-chloroethyl)piperazine hydrochloride
CID 17750329
2-Chloro-1-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}ethan-1-one
CID 2560626
2-Chloro-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 5149334
1-(4-Acetylpiperazin-1-yl)-2-chloropropan-1-one
CID 24692860

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chloroacetyl)piperazin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(2-chloroacetyl)piperazin-1-yl]-N,N-dimethylacetamide (CID 4961961) is 2-[4-(2-chloroacetyl)piperazin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(2-chloroacetyl)piperazin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(2-chloroacetyl)piperazin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCN(C(=O)CCl)CC1.
What is the InChIKey of 2-[4-(2-chloroacetyl)piperazin-1-yl]-N,N-dimethylacetamide?
The InChIKey is PQWDXFOGIQKLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3O2/c1-12(2)10(16)8-13-3-5-14(6-4-13)9(15)7-11/h3-8H2,1-2H3.
What are the key properties of 2-[4-(2-chloroacetyl)piperazin-1-yl]-N,N-dimethylacetamide?
2-[4-(2-chloroacetyl)piperazin-1-yl]-N,N-dimethylacetamide has a molecular weight of 247.73 g/mol, XLogP of -0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chloroacetyl)piperazin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 4961961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).