1-[(4-ethenyl-3-prop-1-enylphenyl)hydrazinylidene]-1-(4-methylpiperazin-1-yl)propan-2-one

C19H26N4O — CID 172879266

IUPAC1-[(4-ethenyl-3-prop-1-enylphenyl)hydrazinylidene]-1-(4-methylpiperazin-1-yl)propan-2-one
SMILESC=Cc1ccc(NN=C(C(C)=O)N2CCN(C)CC2)cc1C=CC
InChIInChI=1S/C19H26N4O/c1-5-7-17-14-18(9-8-16(17)6-2)20-21-19(15(3)24)23-12-10-22(4)11-13-23/h5-9,14,20H,2,10-13H2,1,3-4H3
InChIKeyFZINZXQOKDKJLZ-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.92
Rot. Bonds5

About 1-[(4-ethenyl-3-prop-1-enylphenyl)hydrazinylidene]-1-(4-methylpiperazin-1-yl)propan-2-one

1-[(4-ethenyl-3-prop-1-enylphenyl)hydrazinylidene]-1-(4-methylpiperazin-1-yl)propan-2-one (PubChem CID 172879266) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[(4-ethenyl-3-prop-1-enylphenyl)hydrazinylidene]-1-(4-methylpiperazin-1-yl)propan-2-one.

Molecular Properties

Compound Name1-[(4-ethenyl-3-prop-1-enylphenyl)hydrazinylidene]-1-(4-methylpiperazin-1-yl)propan-2-one
PubChem CID172879266
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-[(4-ethenyl-3-prop-1-enylphenyl)hydrazinylidene]-1-(4-methylpiperazin-1-yl)propan-2-one
SMILESC=Cc1ccc(NN=C(C(C)=O)N2CCN(C)CC2)cc1C=CC
InChIInChI=1S/C19H26N4O/c1-5-7-17-14-18(9-8-16(17)6-2)20-21-19(15(3)24)23-12-10-22(4)11-13-23/h5-9,14,20H,2,10-13H2,1,3-4H3
InChIKeyFZINZXQOKDKJLZ-UHFFFAOYSA-N
XLogP2.92
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[(4-ethenyl-3-prop-1-enylphenyl)hydrazinylidene]-1-(4-methylpiperazin-1-yl)propan-2-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 1-[(4-ethenyl-3-prop-1-enylphenyl)hydrazinylidene]-1-(4-methylpiperazin-1-yl)propan-2-one?
The IUPAC name of 1-[(4-ethenyl-3-prop-1-enylphenyl)hydrazinylidene]-1-(4-methylpiperazin-1-yl)propan-2-one (CID 172879266) is 1-[(4-ethenyl-3-prop-1-enylphenyl)hydrazinylidene]-1-(4-methylpiperazin-1-yl)propan-2-one.
What is the SMILES notation for 1-[(4-ethenyl-3-prop-1-enylphenyl)hydrazinylidene]-1-(4-methylpiperazin-1-yl)propan-2-one?
The canonical SMILES for 1-[(4-ethenyl-3-prop-1-enylphenyl)hydrazinylidene]-1-(4-methylpiperazin-1-yl)propan-2-one is C=Cc1ccc(NN=C(C(C)=O)N2CCN(C)CC2)cc1C=CC.
What is the InChIKey of 1-[(4-ethenyl-3-prop-1-enylphenyl)hydrazinylidene]-1-(4-methylpiperazin-1-yl)propan-2-one?
The InChIKey is FZINZXQOKDKJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-5-7-17-14-18(9-8-16(17)6-2)20-21-19(15(3)24)23-12-10-22(4)11-13-23/h5-9,14,20H,2,10-13H2,1,3-4H3.
What are the key properties of 1-[(4-ethenyl-3-prop-1-enylphenyl)hydrazinylidene]-1-(4-methylpiperazin-1-yl)propan-2-one?
1-[(4-ethenyl-3-prop-1-enylphenyl)hydrazinylidene]-1-(4-methylpiperazin-1-yl)propan-2-one has a molecular weight of 326.44 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethenyl-3-prop-1-enylphenyl)hydrazinylidene]-1-(4-methylpiperazin-1-yl)propan-2-one is sourced from PubChem (CID 172879266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).