3-(4-ethylpiperazin-1-yl)-3-oxo-N-prop-2-enylpropanamide

C12H21N3O2 — CID 108941175

IUPAC3-(4-ethylpiperazin-1-yl)-3-oxo-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CC(=O)N1CCN(CC)CC1
InChIInChI=1S/C12H21N3O2/c1-3-5-13-11(16)10-12(17)15-8-6-14(4-2)7-9-15/h3H,1,4-10H2,2H3,(H,13,16)
InChIKeyMIDFXOQWTNNGKO-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.16
Rot. Bonds5

About 3-(4-ethylpiperazin-1-yl)-3-oxo-N-prop-2-enylpropanamide

3-(4-ethylpiperazin-1-yl)-3-oxo-N-prop-2-enylpropanamide (PubChem CID 108941175) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)-3-oxo-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)-3-oxo-N-prop-2-enylpropanamide
PubChem CID108941175
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-(4-ethylpiperazin-1-yl)-3-oxo-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CC(=O)N1CCN(CC)CC1
InChIInChI=1S/C12H21N3O2/c1-3-5-13-11(16)10-12(17)15-8-6-14(4-2)7-9-15/h3H,1,4-10H2,2H3,(H,13,16)
InChIKeyMIDFXOQWTNNGKO-UHFFFAOYSA-N
XLogP-0.16
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)-3-oxo-N-prop-2-enylpropanamide?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)-3-oxo-N-prop-2-enylpropanamide (CID 108941175) is 3-(4-ethylpiperazin-1-yl)-3-oxo-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)-3-oxo-N-prop-2-enylpropanamide?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)-3-oxo-N-prop-2-enylpropanamide is C=CCNC(=O)CC(=O)N1CCN(CC)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)-3-oxo-N-prop-2-enylpropanamide?
The InChIKey is MIDFXOQWTNNGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-5-13-11(16)10-12(17)15-8-6-14(4-2)7-9-15/h3H,1,4-10H2,2H3,(H,13,16).
What are the key properties of 3-(4-ethylpiperazin-1-yl)-3-oxo-N-prop-2-enylpropanamide?
3-(4-ethylpiperazin-1-yl)-3-oxo-N-prop-2-enylpropanamide has a molecular weight of 239.32 g/mol, XLogP of -0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)-3-oxo-N-prop-2-enylpropanamide is sourced from PubChem (CID 108941175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).