(Z)-(4-ethoxycarbonylpiperazin-1-yl)-methoxyimino-oxidoazanium

C8H16N4O4 — CID 10847158

IUPAC(Z)-(4-ethoxycarbonylpiperazin-1-yl)-methoxyimino-oxidoazanium
SMILESCCOC(=O)N1CCN(/[N+]([O-])=N/OC)CC1
InChIInChI=1S/C8H16N4O4/c1-3-16-8(13)10-4-6-11(7-5-10)12(14)9-15-2/h3-7H2,1-2H3/b12-9-
InChIKeyALOBQVNGWGBDSL-XFXZXTDPSA-N
MW232.24 g/mol
LogP0.20
Rot. Bonds3

About (Z)-(4-ethoxycarbonylpiperazin-1-yl)-methoxyimino-oxidoazanium

(Z)-(4-ethoxycarbonylpiperazin-1-yl)-methoxyimino-oxidoazanium (PubChem CID 10847158) has the molecular formula C8H16N4O4 and a molecular weight of 232.24 g/mol. Its IUPAC name is (Z)-(4-ethoxycarbonylpiperazin-1-yl)-methoxyimino-oxidoazanium.

Molecular Properties

Compound Name(Z)-(4-ethoxycarbonylpiperazin-1-yl)-methoxyimino-oxidoazanium
PubChem CID10847158
Molecular FormulaC8H16N4O4
Molecular Weight232.24 g/mol
Exact Mass232.12
IUPAC Name(Z)-(4-ethoxycarbonylpiperazin-1-yl)-methoxyimino-oxidoazanium
SMILESCCOC(=O)N1CCN(/[N+]([O-])=N/OC)CC1
InChIInChI=1S/C8H16N4O4/c1-3-16-8(13)10-4-6-11(7-5-10)12(14)9-15-2/h3-7H2,1-2H3/b12-9-
InChIKeyALOBQVNGWGBDSL-XFXZXTDPSA-N
XLogP0.20
TPSA80.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-ethenoxyimino-(4-ethoxycarbonylpiperazin-1-yl)-oxidoazanium
CID 10847871
(Z)-(4-ethoxycarbonyl-1,4-diazepan-1-yl)-(5-methyl-2,4-dinitrophenoxy)imino-oxidoazanium
CID 56833533
(Z)-(4-ethoxycarbonylpiperazin-1-yl)-(5-fluoro-2,4-dinitrophenoxy)imino-oxidoazanium
CID 11668504
sodium (Z)-(4-butoxycarbonylpiperazin-1-yl)-oxido-oxidoiminoazanium
CID 135425322
ethyl 4-carbamoylpiperazine-1-carboxylate
CID 82076471
ethyl azetidine-1-carboxylate
CID 14088501
ethyl 4-aminopiperazine-1-carboxylate;dihydrochloride
CID 133054505
CID 58731641
CID 58731641
ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate
CID 23424429
ethyl pyrrolidine-1-carboxylate;methanol
CID 153400940
ethyl azacycloundecane-1-carboxylate
CID 67670496
bis(2-ethoxy-2-oxoethyl) piperazine-1,4-dicarboxylate
CID 175064329

Frequently Asked Questions

What is the IUPAC name of (Z)-(4-ethoxycarbonylpiperazin-1-yl)-methoxyimino-oxidoazanium?
The IUPAC name of (Z)-(4-ethoxycarbonylpiperazin-1-yl)-methoxyimino-oxidoazanium (CID 10847158) is (Z)-(4-ethoxycarbonylpiperazin-1-yl)-methoxyimino-oxidoazanium.
What is the SMILES notation for (Z)-(4-ethoxycarbonylpiperazin-1-yl)-methoxyimino-oxidoazanium?
The canonical SMILES for (Z)-(4-ethoxycarbonylpiperazin-1-yl)-methoxyimino-oxidoazanium is CCOC(=O)N1CCN(/[N+]([O-])=N/OC)CC1.
What is the InChIKey of (Z)-(4-ethoxycarbonylpiperazin-1-yl)-methoxyimino-oxidoazanium?
The InChIKey is ALOBQVNGWGBDSL-XFXZXTDPSA-N. The full InChI is InChI=1S/C8H16N4O4/c1-3-16-8(13)10-4-6-11(7-5-10)12(14)9-15-2/h3-7H2,1-2H3/b12-9-.
What are the key properties of (Z)-(4-ethoxycarbonylpiperazin-1-yl)-methoxyimino-oxidoazanium?
(Z)-(4-ethoxycarbonylpiperazin-1-yl)-methoxyimino-oxidoazanium has a molecular weight of 232.24 g/mol, XLogP of 0.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-(4-ethoxycarbonylpiperazin-1-yl)-methoxyimino-oxidoazanium is sourced from PubChem (CID 10847158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).