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'}

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Related Compounds

1-[(4-bromophenyl)hydrazinylidene]-1-piperidin-1-ylpropan-2-one
CID 830626
[4-[3-ethenyl-4-[(Z)-prop-1-enyl]benzoyl]-1,4-diazepan-1-yl]-phenylmethanone
CID 143728145
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]formamide
CID 58761975
N-(4-acetylphenyl)-4-methylpiperazine-1-carboxamide
CID 47127479
4-[(2E)-2-[1-amino-3-(4-methylpiperazin-1-yl)-3-oxo-1-sulfanylidenepropan-2-ylidene]hydrazinyl]benzamide
CID 6223267
4-methyl-N-[4-(3-oxopropyl)phenyl]piperazine-1-carboxamide
CID 142072938
N-[6-methyl-3-(4-methylpiperazine-1-carbonyl)cinnolin-4-yl]acetamide
CID 10496450
(4-methylpiperazin-1-yl)-[4-[(phenylhydrazinylidene)methyl]phenyl]methanone
CID 169383570
2-methyl-1-(4-methylpiperazin-1-yl)-2-(4-prop-1-en-2-ylanilino)propan-1-one
CID 23856583
N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]prop-2-enamide
CID 166406056
2-(3-acetylanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 108995450
[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylideneamino]urea
CID 168533454

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).