(E)-2-piperazin-1-ylbut-2-enediamide;zinc

C8H14N4O2Zn — CID 175214786

IUPAC(E)-2-piperazin-1-ylbut-2-enediamide;zinc
SMILESNC(=O)/C=C(\C(N)=O)N1CCNCC1.[Zn]
InChIInChI=1S/C8H14N4O2.Zn/c9-7(13)5-6(8(10)14)12-3-1-11-2-4-12;/h5,11H,1-4H2,(H2,9,13)(H2,10,14);/b6-5+;
InChIKeyHFLPQUULZQEUQN-IPZCTEOASA-N
MW263.62 g/mol
LogP-2.26
Rot. Bonds3

About (E)-2-piperazin-1-ylbut-2-enediamide;zinc

(E)-2-piperazin-1-ylbut-2-enediamide;zinc (PubChem CID 175214786) has the molecular formula C8H14N4O2Zn and a molecular weight of 263.62 g/mol. Its IUPAC name is (E)-2-piperazin-1-ylbut-2-enediamide;zinc.

Molecular Properties

Compound Name(E)-2-piperazin-1-ylbut-2-enediamide;zinc
PubChem CID175214786
Molecular FormulaC8H14N4O2Zn
Molecular Weight263.62 g/mol
Exact Mass262.04
IUPAC Name(E)-2-piperazin-1-ylbut-2-enediamide;zinc
SMILESNC(=O)/C=C(\C(N)=O)N1CCNCC1.[Zn]
InChIInChI=1S/C8H14N4O2.Zn/c9-7(13)5-6(8(10)14)12-3-1-11-2-4-12;/h5,11H,1-4H2,(H2,9,13)(H2,10,14);/b6-5+;
InChIKeyHFLPQUULZQEUQN-IPZCTEOASA-N
XLogP-2.26
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.62
LogP ≤ 5-2.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

piperazine-1-carboxamide;zinc
CID 175213463
(E)-1,4-di(piperazin-1-yl)but-2-ene-1,4-dione
CID 141152573
aziridine;aziridine-1-carboxamide
CID 157196797
piperazine-1-carbothioic S-acid
CID 22219896
2-oxo-2-piperazin-1-ylacetic acid
CID 2050152
butanedioic acid;bis(piperazine-1-carboxamide)
CID 174927444
1-(azetidin-1-yl)-2-piperazin-1-ylethane-1,2-dione
CID 130547937
ethene;1-piperazin-1-ylethanone
CID 145071339
(2E)-2-hydroxyimino-1-piperazin-1-ylethanone
CID 153463003
piperazine;prop-2-enamide
CID 18915240
1-(1,4-diazepan-1-yl)-3-methylbut-2-en-1-one
CID 28881262
(1-amino-2-cyanoethenyl) piperazine-1-carboxylate
CID 145343574

Frequently Asked Questions

What is the IUPAC name of (E)-2-piperazin-1-ylbut-2-enediamide;zinc?
The IUPAC name of (E)-2-piperazin-1-ylbut-2-enediamide;zinc (CID 175214786) is (E)-2-piperazin-1-ylbut-2-enediamide;zinc.
What is the SMILES notation for (E)-2-piperazin-1-ylbut-2-enediamide;zinc?
The canonical SMILES for (E)-2-piperazin-1-ylbut-2-enediamide;zinc is NC(=O)/C=C(\C(N)=O)N1CCNCC1.[Zn].
What is the InChIKey of (E)-2-piperazin-1-ylbut-2-enediamide;zinc?
The InChIKey is HFLPQUULZQEUQN-IPZCTEOASA-N. The full InChI is InChI=1S/C8H14N4O2.Zn/c9-7(13)5-6(8(10)14)12-3-1-11-2-4-12;/h5,11H,1-4H2,(H2,9,13)(H2,10,14);/b6-5+;.
What are the key properties of (E)-2-piperazin-1-ylbut-2-enediamide;zinc?
(E)-2-piperazin-1-ylbut-2-enediamide;zinc has a molecular weight of 263.62 g/mol, XLogP of -2.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-piperazin-1-ylbut-2-enediamide;zinc is sourced from PubChem (CID 175214786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).