ethyl 4-[nitroso(oxido)amino]piperazine-1-carboxylate

C7H13N4O4- — CID 10285900

IUPACethyl 4-[nitroso(oxido)amino]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(N([O-])N=O)CC1
InChIInChI=1S/C7H13N4O4/c1-2-15-7(12)9-3-5-10(6-4-9)11(14)8-13/h2-6H2,1H3/q-1
InChIKeySFBCHEWMDRAEDW-UHFFFAOYSA-N
MW217.20 g/mol
LogP0.16
Rot. Bonds3

About ethyl 4-[nitroso(oxido)amino]piperazine-1-carboxylate

ethyl 4-[nitroso(oxido)amino]piperazine-1-carboxylate (PubChem CID 10285900) has the molecular formula C7H13N4O4- and a molecular weight of 217.20 g/mol. Its IUPAC name is ethyl 4-[nitroso(oxido)amino]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[nitroso(oxido)amino]piperazine-1-carboxylate
PubChem CID10285900
Molecular FormulaC7H13N4O4-
Molecular Weight217.20 g/mol
Exact Mass217.09
IUPAC Nameethyl 4-[nitroso(oxido)amino]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(N([O-])N=O)CC1
InChIInChI=1S/C7H13N4O4/c1-2-15-7(12)9-3-5-10(6-4-9)11(14)8-13/h2-6H2,1H3/q-1
InChIKeySFBCHEWMDRAEDW-UHFFFAOYSA-N
XLogP0.16
TPSA88.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

butyl 4-[nitroso(oxido)amino]piperazine-1-carboxylate
CID 11615958
ethyl 4-carbamoylpiperazine-1-carboxylate
CID 82076471
ethyl azetidine-1-carboxylate
CID 14088501
ethyl 4-aminopiperazine-1-carboxylate;dihydrochloride
CID 133054505
ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate
CID 23424429
CID 58731641
CID 58731641
ethyl pyrrolidine-1-carboxylate;methanol
CID 153400940
ethyl azacycloundecane-1-carboxylate
CID 67670496
bis(2-ethoxy-2-oxoethyl) piperazine-1,4-dicarboxylate
CID 175064329
ethyl 4-(N'-methylcarbamimidoyl)piperazine-1-carboxylate;hydroiodide
CID 111163467
ethyl 4-oxopiperidine-1-carboxylate;methane
CID 143127714
ethyl 4-formylpiperazine-1-carboxylate
CID 14972642

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[nitroso(oxido)amino]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[nitroso(oxido)amino]piperazine-1-carboxylate (CID 10285900) is ethyl 4-[nitroso(oxido)amino]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[nitroso(oxido)amino]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[nitroso(oxido)amino]piperazine-1-carboxylate is CCOC(=O)N1CCN(N([O-])N=O)CC1.
What is the InChIKey of ethyl 4-[nitroso(oxido)amino]piperazine-1-carboxylate?
The InChIKey is SFBCHEWMDRAEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N4O4/c1-2-15-7(12)9-3-5-10(6-4-9)11(14)8-13/h2-6H2,1H3/q-1.
What are the key properties of ethyl 4-[nitroso(oxido)amino]piperazine-1-carboxylate?
ethyl 4-[nitroso(oxido)amino]piperazine-1-carboxylate has a molecular weight of 217.20 g/mol, XLogP of 0.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[nitroso(oxido)amino]piperazine-1-carboxylate is sourced from PubChem (CID 10285900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).