hydroxyimino-(2-methoxycarbonylpiperidin-1-yl)-oxidoazanium

C7H13N3O4 — CID 172844379

IUPAChydroxyimino-(2-methoxycarbonylpiperidin-1-yl)-oxidoazanium
SMILESCOC(=O)C1CCCCN1[N+]([O-])=NO
InChIInChI=1S/C7H13N3O4/c1-14-7(11)6-4-2-3-5-9(6)10(13)8-12/h6,12H,2-5H2,1H3
InChIKeyXFJJAUKMNSOJJB-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.28
Rot. Bonds2

About hydroxyimino-(2-methoxycarbonylpiperidin-1-yl)-oxidoazanium

hydroxyimino-(2-methoxycarbonylpiperidin-1-yl)-oxidoazanium (PubChem CID 172844379) has the molecular formula C7H13N3O4 and a molecular weight of 203.20 g/mol. Its IUPAC name is hydroxyimino-(2-methoxycarbonylpiperidin-1-yl)-oxidoazanium.

Molecular Properties

Compound Namehydroxyimino-(2-methoxycarbonylpiperidin-1-yl)-oxidoazanium
PubChem CID172844379
Molecular FormulaC7H13N3O4
Molecular Weight203.20 g/mol
Exact Mass203.09
IUPAC Namehydroxyimino-(2-methoxycarbonylpiperidin-1-yl)-oxidoazanium
SMILESCOC(=O)C1CCCCN1[N+]([O-])=NO
InChIInChI=1S/C7H13N3O4/c1-14-7(11)6-4-2-3-5-9(6)10(13)8-12/h6,12H,2-5H2,1H3
InChIKeyXFJJAUKMNSOJJB-UHFFFAOYSA-N
XLogP0.28
TPSA88.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-Nitrosopipecolic acid
CID 20614
Dimethyl (2R,6S)-1-nitrosopiperidine-2,6-dicarboxylate
CID 44312863
2-Piperidinecarboxylic acid, 1-nitroso-, (S)-
CID 23618315
(Z)-5-hydroxypentoxyimino-(2-methoxycarbonylpiperidin-1-yl)-oxidoazanium
CID 58398740
Methyl 1-iodopiperidine-2-carboxylate
CID 88558450
methyl (2R)-1-aminopiperidine-2-carboxylate
CID 90433668
Methyl 1-aminopiperidine-2-carboxylate
CID 129156354
(E)-(2-carboxypiperidin-1-yl)-oxido-oxidoiminoazanium
CID 136387910
(2-Carboxypiperidin-1-yl)-hydroxyimino-oxidoazanium
CID 136387911
(E)-(2-carboxypiperidin-1-yl)-hydroxyimino-oxidoazanium
CID 137208425
Methyl 1-hydroxypiperidine-2-carboxylate
CID 139658736
1-Azidopiperidine-2-carboxylic acid
CID 140333647

Frequently Asked Questions

What is the IUPAC name of hydroxyimino-(2-methoxycarbonylpiperidin-1-yl)-oxidoazanium?
The IUPAC name of hydroxyimino-(2-methoxycarbonylpiperidin-1-yl)-oxidoazanium (CID 172844379) is hydroxyimino-(2-methoxycarbonylpiperidin-1-yl)-oxidoazanium.
What is the SMILES notation for hydroxyimino-(2-methoxycarbonylpiperidin-1-yl)-oxidoazanium?
The canonical SMILES for hydroxyimino-(2-methoxycarbonylpiperidin-1-yl)-oxidoazanium is COC(=O)C1CCCCN1[N+]([O-])=NO.
What is the InChIKey of hydroxyimino-(2-methoxycarbonylpiperidin-1-yl)-oxidoazanium?
The InChIKey is XFJJAUKMNSOJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O4/c1-14-7(11)6-4-2-3-5-9(6)10(13)8-12/h6,12H,2-5H2,1H3.
What are the key properties of hydroxyimino-(2-methoxycarbonylpiperidin-1-yl)-oxidoazanium?
hydroxyimino-(2-methoxycarbonylpiperidin-1-yl)-oxidoazanium has a molecular weight of 203.20 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxyimino-(2-methoxycarbonylpiperidin-1-yl)-oxidoazanium is sourced from PubChem (CID 172844379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).