2-[4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazin-1-yl]acetohydrazide

C14H24N4O — CID 138741369

IUPAC2-[4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazin-1-yl]acetohydrazide
SMILESC=C/C=C(\C=C/C)CN1CCN(CC(=O)NN)CC1
InChIInChI=1S/C14H24N4O/c1-3-5-13(6-4-2)11-17-7-9-18(10-8-17)12-14(19)16-15/h3-6H,1,7-12,15H2,2H3,(H,16,19)/b6-4-,13-5+
InChIKeyPJDAXJUZQCJFII-GLRUQPRCSA-N
MW264.37 g/mol
LogP0.28
Rot. Bonds6

About 2-[4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazin-1-yl]acetohydrazide

2-[4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazin-1-yl]acetohydrazide (PubChem CID 138741369) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazin-1-yl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazin-1-yl]acetohydrazide
PubChem CID138741369
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-[4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazin-1-yl]acetohydrazide
SMILESC=C/C=C(\C=C/C)CN1CCN(CC(=O)NN)CC1
InChIInChI=1S/C14H24N4O/c1-3-5-13(6-4-2)11-17-7-9-18(10-8-17)12-14(19)16-15/h3-6H,1,7-12,15H2,2H3,(H,16,19)/b6-4-,13-5+
InChIKeyPJDAXJUZQCJFII-GLRUQPRCSA-N
XLogP0.28
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.28
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)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazin-1-yl]acetohydrazide?
The IUPAC name of 2-[4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazin-1-yl]acetohydrazide (CID 138741369) is 2-[4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazin-1-yl]acetohydrazide.
What is the SMILES notation for 2-[4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazin-1-yl]acetohydrazide?
The canonical SMILES for 2-[4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazin-1-yl]acetohydrazide is C=C/C=C(\C=C/C)CN1CCN(CC(=O)NN)CC1.
What is the InChIKey of 2-[4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazin-1-yl]acetohydrazide?
The InChIKey is PJDAXJUZQCJFII-GLRUQPRCSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-5-13(6-4-2)11-17-7-9-18(10-8-17)12-14(19)16-15/h3-6H,1,7-12,15H2,2H3,(H,16,19)/b6-4-,13-5+.
What are the key properties of 2-[4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazin-1-yl]acetohydrazide?
2-[4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazin-1-yl]acetohydrazide has a molecular weight of 264.37 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazin-1-yl]acetohydrazide is sourced from PubChem (CID 138741369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).