2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-prop-2-enylacetamide

C12H20ClN3O2 — CID 54875154

IUPAC2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(C(=O)CCCl)CC1
InChIInChI=1S/C12H20ClN3O2/c1-2-5-14-11(17)10-15-6-8-16(9-7-15)12(18)3-4-13/h2H,1,3-10H2,(H,14,17)
InChIKeyJTWILIADKMJHLQ-UHFFFAOYSA-N
MW273.76 g/mol
LogP0.06
Rot. Bonds6

About 2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-prop-2-enylacetamide

2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-prop-2-enylacetamide (PubChem CID 54875154) has the molecular formula C12H20ClN3O2 and a molecular weight of 273.76 g/mol. Its IUPAC name is 2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-prop-2-enylacetamide
PubChem CID54875154
Molecular FormulaC12H20ClN3O2
Molecular Weight273.76 g/mol
Exact Mass273.12
IUPAC Name2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(C(=O)CCCl)CC1
InChIInChI=1S/C12H20ClN3O2/c1-2-5-14-11(17)10-15-6-8-16(9-7-15)12(18)3-4-13/h2H,1,3-10H2,(H,14,17)
InChIKeyJTWILIADKMJHLQ-UHFFFAOYSA-N
XLogP0.06
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-prop-2-enylacetamide 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-(4-butanoylpiperazin-1-yl)-N-prop-2-enylacetamide
CID 60708203
2-[4-(2-aminoacetyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 54869753
2-[4-(4-hydroxypentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 79201471
2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 55498763
2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-propylacetamide
CID 54874647
2-[4-[2-(propan-2-ylamino)acetyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 60938599
2-[4-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 55451858
2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 60711965
2-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 93368513
2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 79270934
2-[4-(4-chlorobutanoyl)piperazin-1-yl]-N-ethylacetamide
CID 63307721
2-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride
CID 119837882

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-prop-2-enylacetamide (CID 54875154) is 2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CN1CCN(C(=O)CCCl)CC1.
What is the InChIKey of 2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-prop-2-enylacetamide?
The InChIKey is JTWILIADKMJHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O2/c1-2-5-14-11(17)10-15-6-8-16(9-7-15)12(18)3-4-13/h2H,1,3-10H2,(H,14,17).
What are the key properties of 2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-prop-2-enylacetamide?
2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 273.76 g/mol, XLogP of 0.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 54875154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).