2-[4-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperazin-1-yl]acetohydrazide

C15H24N4O — CID 129055322

IUPAC2-[4-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperazin-1-yl]acetohydrazide
SMILESC=C/C=C\C(=C/C=C)CN1CCN(CC(=O)NN)CC1
InChIInChI=1S/C15H24N4O/c1-3-5-7-14(6-4-2)12-18-8-10-19(11-9-18)13-15(20)17-16/h3-7H,1-2,8-13,16H2,(H,17,20)/b7-5-,14-6+
InChIKeyRIZOSHFBMHYVCZ-CYMBIFCZSA-N
MW276.38 g/mol
LogP0.45
Rot. Bonds7

About 2-[4-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperazin-1-yl]acetohydrazide

2-[4-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperazin-1-yl]acetohydrazide (PubChem CID 129055322) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[4-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperazin-1-yl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperazin-1-yl]acetohydrazide
PubChem CID129055322
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-[4-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperazin-1-yl]acetohydrazide
SMILESC=C/C=C\C(=C/C=C)CN1CCN(CC(=O)NN)CC1
InChIInChI=1S/C15H24N4O/c1-3-5-7-14(6-4-2)12-18-8-10-19(11-9-18)13-15(20)17-16/h3-7H,1-2,8-13,16H2,(H,17,20)/b7-5-,14-6+
InChIKeyRIZOSHFBMHYVCZ-CYMBIFCZSA-N
XLogP0.45
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperazin-1-yl]acetohydrazide?
The IUPAC name of 2-[4-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperazin-1-yl]acetohydrazide (CID 129055322) is 2-[4-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperazin-1-yl]acetohydrazide.
What is the SMILES notation for 2-[4-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperazin-1-yl]acetohydrazide?
The canonical SMILES for 2-[4-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperazin-1-yl]acetohydrazide is C=C/C=C\C(=C/C=C)CN1CCN(CC(=O)NN)CC1.
What is the InChIKey of 2-[4-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperazin-1-yl]acetohydrazide?
The InChIKey is RIZOSHFBMHYVCZ-CYMBIFCZSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-5-7-14(6-4-2)12-18-8-10-19(11-9-18)13-15(20)17-16/h3-7H,1-2,8-13,16H2,(H,17,20)/b7-5-,14-6+.
What are the key properties of 2-[4-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperazin-1-yl]acetohydrazide?
2-[4-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperazin-1-yl]acetohydrazide has a molecular weight of 276.38 g/mol, XLogP of 0.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]piperazin-1-yl]acetohydrazide is sourced from PubChem (CID 129055322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).