3-(2-piperazin-1-ylethoxy)prop-1-en-1-one

C9H16N2O2 — CID 141000267

IUPAC3-(2-piperazin-1-ylethoxy)prop-1-en-1-one
SMILESO=C=CCOCCN1CCNCC1
InChIInChI=1S/C9H16N2O2/c12-7-1-8-13-9-6-11-4-2-10-3-5-11/h1,10H,2-6,8-9H2
InChIKeyVMZFIMYCYRGBMV-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.70
Rot. Bonds5

About 3-(2-piperazin-1-ylethoxy)prop-1-en-1-one

3-(2-piperazin-1-ylethoxy)prop-1-en-1-one (PubChem CID 141000267) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-(2-piperazin-1-ylethoxy)prop-1-en-1-one.

Molecular Properties

Compound Name3-(2-piperazin-1-ylethoxy)prop-1-en-1-one
PubChem CID141000267
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-(2-piperazin-1-ylethoxy)prop-1-en-1-one
SMILESO=C=CCOCCN1CCNCC1
InChIInChI=1S/C9H16N2O2/c12-7-1-8-13-9-6-11-4-2-10-3-5-11/h1,10H,2-6,8-9H2
InChIKeyVMZFIMYCYRGBMV-UHFFFAOYSA-N
XLogP-0.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-piperazin-1-ylethoxy)prop-1-en-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-piperazin-1-ylethoxy)prop-1-en-1-one?
The IUPAC name of 3-(2-piperazin-1-ylethoxy)prop-1-en-1-one (CID 141000267) is 3-(2-piperazin-1-ylethoxy)prop-1-en-1-one.
What is the SMILES notation for 3-(2-piperazin-1-ylethoxy)prop-1-en-1-one?
The canonical SMILES for 3-(2-piperazin-1-ylethoxy)prop-1-en-1-one is O=C=CCOCCN1CCNCC1.
What is the InChIKey of 3-(2-piperazin-1-ylethoxy)prop-1-en-1-one?
The InChIKey is VMZFIMYCYRGBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c12-7-1-8-13-9-6-11-4-2-10-3-5-11/h1,10H,2-6,8-9H2.
What are the key properties of 3-(2-piperazin-1-ylethoxy)prop-1-en-1-one?
3-(2-piperazin-1-ylethoxy)prop-1-en-1-one has a molecular weight of 184.24 g/mol, XLogP of -0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperazin-1-ylethoxy)prop-1-en-1-one is sourced from PubChem (CID 141000267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).