(1-amino-2-cyanoethenyl) piperazine-1-carboxylate

C8H12N4O2 — CID 145343574

IUPAC(1-amino-2-cyanoethenyl) piperazine-1-carboxylate
SMILESN#CC=C(N)OC(=O)N1CCNCC1
InChIInChI=1S/C8H12N4O2/c9-2-1-7(10)14-8(13)12-5-3-11-4-6-12/h1,11H,3-6,10H2
InChIKeyIBKQGJPKYGAGTF-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.65
Rot. Bonds1

About (1-amino-2-cyanoethenyl) piperazine-1-carboxylate

(1-amino-2-cyanoethenyl) piperazine-1-carboxylate (PubChem CID 145343574) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is (1-amino-2-cyanoethenyl) piperazine-1-carboxylate.

Molecular Properties

Compound Name(1-amino-2-cyanoethenyl) piperazine-1-carboxylate
PubChem CID145343574
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name(1-amino-2-cyanoethenyl) piperazine-1-carboxylate
SMILESN#CC=C(N)OC(=O)N1CCNCC1
InChIInChI=1S/C8H12N4O2/c9-2-1-7(10)14-8(13)12-5-3-11-4-6-12/h1,11H,3-6,10H2
InChIKeyIBKQGJPKYGAGTF-UHFFFAOYSA-N
XLogP-0.65
TPSA91.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

pyrrolidine-1-carbonyl piperazine-1-carboxylate
CID 169258310
pyrrolidin-1-yl piperazine-1-carboxylate
CID 173164040
bis(ethenyl) 1,4,7,10-tetrazacyclododecane-1,7-dicarboxylate
CID 14938690
piperazine-1-carboxamide;zinc
CID 175213463
cyclopentanecarbonyl piperazine-1-carboxylate
CID 118918508
ethyl piperazine-1-carboxylate;formyl chloride
CID 174617176
N-(cyanomethyl)piperazine-1-carboxamide
CID 108864637
ethyl 4-(2-oxo-2-piperazin-1-ylacetyl)piperazine-1-carboxylate
CID 28507309
2,2-dimethylpropyl piperazine-1-carboxylate
CID 68583868
ethyl piperazine-1-carboxylate;sulfuric acid
CID 69107916
(2-aminobenzoyl) piperazine-1-carboxylate
CID 174897357
(2-amino-3-butoxypropanoyl) piperazine-1-carboxylate
CID 91221571

Frequently Asked Questions

What is the IUPAC name of (1-amino-2-cyanoethenyl) piperazine-1-carboxylate?
The IUPAC name of (1-amino-2-cyanoethenyl) piperazine-1-carboxylate (CID 145343574) is (1-amino-2-cyanoethenyl) piperazine-1-carboxylate.
What is the SMILES notation for (1-amino-2-cyanoethenyl) piperazine-1-carboxylate?
The canonical SMILES for (1-amino-2-cyanoethenyl) piperazine-1-carboxylate is N#CC=C(N)OC(=O)N1CCNCC1.
What is the InChIKey of (1-amino-2-cyanoethenyl) piperazine-1-carboxylate?
The InChIKey is IBKQGJPKYGAGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c9-2-1-7(10)14-8(13)12-5-3-11-4-6-12/h1,11H,3-6,10H2.
What are the key properties of (1-amino-2-cyanoethenyl) piperazine-1-carboxylate?
(1-amino-2-cyanoethenyl) piperazine-1-carboxylate has a molecular weight of 196.21 g/mol, XLogP of -0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2-cyanoethenyl) piperazine-1-carboxylate is sourced from PubChem (CID 145343574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).