2-[4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazin-1-yl]-N-[(E)-[(E,2Z)-2-ethylidene-3-hydroxypent-3-enylidene]amino]acetamide

C21H32N4O2 — CID 129055383

IUPAC2-[4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazin-1-yl]-N-[(E)-[(E,2Z)-2-ethylidene-3-hydroxypent-3-enylidene]amino]acetamide
SMILESC=C/C=C\C(=C/C)CN1CCN(CC(=O)N/N=C/C(=C/C)/C(O)=C\C)CC1
InChIInChI=1S/C21H32N4O2/c1-5-9-10-18(6-2)16-24-11-13-25(14-12-24)17-21(27)23-22-15-19(7-3)20(26)8-4/h5-10,15,26H,1,11-14,16-17H2,2-4H3,(H,23,27)/b10-9-,18-6+,19-7-,20-8+,22-15+
InChIKeyYDNIBGAVDNSWLM-DMNMXESASA-N
MW372.51 g/mol
LogP2.80
Rot. Bonds9

About 2-[4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazin-1-yl]-N-[(E)-[(E,2Z)-2-ethylidene-3-hydroxypent-3-enylidene]amino]acetamide

2-[4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazin-1-yl]-N-[(E)-[(E,2Z)-2-ethylidene-3-hydroxypent-3-enylidene]amino]acetamide (PubChem CID 129055383) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-[4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazin-1-yl]-N-[(E)-[(E,2Z)-2-ethylidene-3-hydroxypent-3-enylidene]amino]acetamide.

Molecular Properties

Compound Name2-[4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazin-1-yl]-N-[(E)-[(E,2Z)-2-ethylidene-3-hydroxypent-3-enylidene]amino]acetamide
PubChem CID129055383
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name2-[4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazin-1-yl]-N-[(E)-[(E,2Z)-2-ethylidene-3-hydroxypent-3-enylidene]amino]acetamide
SMILESC=C/C=C\C(=C/C)CN1CCN(CC(=O)N/N=C/C(=C/C)/C(O)=C\C)CC1
InChIInChI=1S/C21H32N4O2/c1-5-9-10-18(6-2)16-24-11-13-25(14-12-24)17-21(27)23-22-15-19(7-3)20(26)8-4/h5-10,15,26H,1,11-14,16-17H2,2-4H3,(H,23,27)/b10-9-,18-6+,19-7-,20-8+,22-15+
InChIKeyYDNIBGAVDNSWLM-DMNMXESASA-N
XLogP2.80
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazine
CID 167002240
1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazine-1-carboxylate
CID 156577413
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(2-methyl-3-phenylprop-2-enylidene)amino]acetamide
CID 6761601
2-[4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperazin-1-yl]acetohydrazide
CID 138741369
N-(benzylideneamino)-2-(4-ethylpiperazin-1-yl)acetamide
CID 791586
2-(4-benzylpiperazin-1-yl)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 3714192
2-(4-benzylpiperazin-1-yl)-N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]acetamide
CID 1185547
2-(4-benzylpiperazin-1-yl)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide
CID 6885338
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(2-chloro-3-phenylprop-2-enylidene)amino]acetamide
CID 4300448
2-[(E)-[[2-(4-benzylpiperazin-1-yl)acetyl]hydrazinylidene]methyl]benzoic acid
CID 6865035
2-(4-benzylpiperazin-1-yl)-N-[(E)-(2,3-dimethylphenyl)methylideneamino]acetamide
CID 138741424
2-(4-benzylpiperazin-1-yl)-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
CID 6866404

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazin-1-yl]-N-[(E)-[(E,2Z)-2-ethylidene-3-hydroxypent-3-enylidene]amino]acetamide?
The IUPAC name of 2-[4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazin-1-yl]-N-[(E)-[(E,2Z)-2-ethylidene-3-hydroxypent-3-enylidene]amino]acetamide (CID 129055383) is 2-[4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazin-1-yl]-N-[(E)-[(E,2Z)-2-ethylidene-3-hydroxypent-3-enylidene]amino]acetamide.
What is the SMILES notation for 2-[4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazin-1-yl]-N-[(E)-[(E,2Z)-2-ethylidene-3-hydroxypent-3-enylidene]amino]acetamide?
The canonical SMILES for 2-[4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazin-1-yl]-N-[(E)-[(E,2Z)-2-ethylidene-3-hydroxypent-3-enylidene]amino]acetamide is C=C/C=C\C(=C/C)CN1CCN(CC(=O)N/N=C/C(=C/C)/C(O)=C\C)CC1.
What is the InChIKey of 2-[4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazin-1-yl]-N-[(E)-[(E,2Z)-2-ethylidene-3-hydroxypent-3-enylidene]amino]acetamide?
The InChIKey is YDNIBGAVDNSWLM-DMNMXESASA-N. The full InChI is InChI=1S/C21H32N4O2/c1-5-9-10-18(6-2)16-24-11-13-25(14-12-24)17-21(27)23-22-15-19(7-3)20(26)8-4/h5-10,15,26H,1,11-14,16-17H2,2-4H3,(H,23,27)/b10-9-,18-6+,19-7-,20-8+,22-15+.
What are the key properties of 2-[4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazin-1-yl]-N-[(E)-[(E,2Z)-2-ethylidene-3-hydroxypent-3-enylidene]amino]acetamide?
2-[4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazin-1-yl]-N-[(E)-[(E,2Z)-2-ethylidene-3-hydroxypent-3-enylidene]amino]acetamide has a molecular weight of 372.51 g/mol, XLogP of 2.80, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazin-1-yl]-N-[(E)-[(E,2Z)-2-ethylidene-3-hydroxypent-3-enylidene]amino]acetamide is sourced from PubChem (CID 129055383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).