N-(2-methoxyethyl)spiro[1,4-dihydroquinoxaline-3,3'-piperidine]-2-imine

C15H22N4O — CID 136666775

IUPACN-(2-methoxyethyl)spiro[1,4-dihydroquinoxaline-3,3'-piperidine]-2-imine
SMILESCOCC/N=C1\Nc2ccccc2NC12CCCNC2
InChIInChI=1S/C15H22N4O/c1-20-10-9-17-14-15(7-4-8-16-11-15)19-13-6-3-2-5-12(13)18-14/h2-3,5-6,16,19H,4,7-11H2,1H3,(H,17,18)
InChIKeyKTDIJQBLCHBJAE-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.69
Rot. Bonds3

About N-(2-methoxyethyl)spiro[1,4-dihydroquinoxaline-3,3'-piperidine]-2-imine

N-(2-methoxyethyl)spiro[1,4-dihydroquinoxaline-3,3'-piperidine]-2-imine (PubChem CID 136666775) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)spiro[1,4-dihydroquinoxaline-3,3'-piperidine]-2-imine.

Molecular Properties

Compound NameN-(2-methoxyethyl)spiro[1,4-dihydroquinoxaline-3,3'-piperidine]-2-imine
PubChem CID136666775
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-(2-methoxyethyl)spiro[1,4-dihydroquinoxaline-3,3'-piperidine]-2-imine
SMILESCOCC/N=C1\Nc2ccccc2NC12CCCNC2
InChIInChI=1S/C15H22N4O/c1-20-10-9-17-14-15(7-4-8-16-11-15)19-13-6-3-2-5-12(13)18-14/h2-3,5-6,16,19H,4,7-11H2,1H3,(H,17,18)
InChIKeyKTDIJQBLCHBJAE-UHFFFAOYSA-N
XLogP1.69
TPSA57.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)spiro[1,4-dihydroquinoxaline-3,3'-piperidine]-2-imine?
The IUPAC name of N-(2-methoxyethyl)spiro[1,4-dihydroquinoxaline-3,3'-piperidine]-2-imine (CID 136666775) is N-(2-methoxyethyl)spiro[1,4-dihydroquinoxaline-3,3'-piperidine]-2-imine.
What is the SMILES notation for N-(2-methoxyethyl)spiro[1,4-dihydroquinoxaline-3,3'-piperidine]-2-imine?
The canonical SMILES for N-(2-methoxyethyl)spiro[1,4-dihydroquinoxaline-3,3'-piperidine]-2-imine is COCC/N=C1\Nc2ccccc2NC12CCCNC2.
What is the InChIKey of N-(2-methoxyethyl)spiro[1,4-dihydroquinoxaline-3,3'-piperidine]-2-imine?
The InChIKey is KTDIJQBLCHBJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-20-10-9-17-14-15(7-4-8-16-11-15)19-13-6-3-2-5-12(13)18-14/h2-3,5-6,16,19H,4,7-11H2,1H3,(H,17,18).
What are the key properties of N-(2-methoxyethyl)spiro[1,4-dihydroquinoxaline-3,3'-piperidine]-2-imine?
N-(2-methoxyethyl)spiro[1,4-dihydroquinoxaline-3,3'-piperidine]-2-imine has a molecular weight of 274.37 g/mol, XLogP of 1.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)spiro[1,4-dihydroquinoxaline-3,3'-piperidine]-2-imine is sourced from PubChem (CID 136666775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).