ethyl (4E)-4-hydroxyimino-6-methoxyspiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate

C16H21N3O5 — CID 146633824

IUPACethyl (4E)-4-hydroxyimino-6-methoxyspiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)C/C(=N\O)c1nc(OC)ccc1O2
InChIInChI=1S/C16H21N3O5/c1-3-23-15(20)19-8-6-16(7-9-19)10-11(18-21)14-12(24-16)4-5-13(17-14)22-2/h4-5,21H,3,6-10H2,1-2H3/b18-11+
InChIKeyLKBWNIDTTKULQO-WOJGMQOQSA-N
MW335.36 g/mol
LogP2.04
Rot. Bonds2

About ethyl (4E)-4-hydroxyimino-6-methoxyspiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate

ethyl (4E)-4-hydroxyimino-6-methoxyspiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate (PubChem CID 146633824) has the molecular formula C16H21N3O5 and a molecular weight of 335.36 g/mol. Its IUPAC name is ethyl (4E)-4-hydroxyimino-6-methoxyspiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nameethyl (4E)-4-hydroxyimino-6-methoxyspiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate
PubChem CID146633824
Molecular FormulaC16H21N3O5
Molecular Weight335.36 g/mol
Exact Mass335.15
IUPAC Nameethyl (4E)-4-hydroxyimino-6-methoxyspiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)C/C(=N\O)c1nc(OC)ccc1O2
InChIInChI=1S/C16H21N3O5/c1-3-23-15(20)19-8-6-16(7-9-19)10-11(18-21)14-12(24-16)4-5-13(17-14)22-2/h4-5,21H,3,6-10H2,1-2H3/b18-11+
InChIKeyLKBWNIDTTKULQO-WOJGMQOQSA-N
XLogP2.04
TPSA93.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (4E)-4-hydroxyimino-6-methoxyspiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate?
The IUPAC name of ethyl (4E)-4-hydroxyimino-6-methoxyspiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate (CID 146633824) is ethyl (4E)-4-hydroxyimino-6-methoxyspiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for ethyl (4E)-4-hydroxyimino-6-methoxyspiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate?
The canonical SMILES for ethyl (4E)-4-hydroxyimino-6-methoxyspiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate is CCOC(=O)N1CCC2(CC1)C/C(=N\O)c1nc(OC)ccc1O2.
What is the InChIKey of ethyl (4E)-4-hydroxyimino-6-methoxyspiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate?
The InChIKey is LKBWNIDTTKULQO-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H21N3O5/c1-3-23-15(20)19-8-6-16(7-9-19)10-11(18-21)14-12(24-16)4-5-13(17-14)22-2/h4-5,21H,3,6-10H2,1-2H3/b18-11+.
What are the key properties of ethyl (4E)-4-hydroxyimino-6-methoxyspiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate?
ethyl (4E)-4-hydroxyimino-6-methoxyspiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate has a molecular weight of 335.36 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4E)-4-hydroxyimino-6-methoxyspiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 146633824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).