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

C20H24N4O — CID 135891231

IUPACN-[(4-methoxyphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
SMILESCOc1ccc(C/N=C2\Nc3ccccc3NC23CCNCC3)cc1
InChIInChI=1S/C20H24N4O/c1-25-16-8-6-15(7-9-16)14-22-19-20(10-12-21-13-11-20)24-18-5-3-2-4-17(18)23-19/h2-9,21,24H,10-14H2,1H3,(H,22,23)
InChIKeyYGXIIONGCSLISJ-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.25
Rot. Bonds3

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

N-[(4-methoxyphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine (PubChem CID 135891231) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
PubChem CID135891231
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN-[(4-methoxyphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
SMILESCOc1ccc(C/N=C2\Nc3ccccc3NC23CCNCC3)cc1
InChIInChI=1S/C20H24N4O/c1-25-16-8-6-15(7-9-16)14-22-19-20(10-12-21-13-11-20)24-18-5-3-2-4-17(18)23-19/h2-9,21,24H,10-14H2,1H3,(H,22,23)
InChIKeyYGXIIONGCSLISJ-UHFFFAOYSA-N
XLogP3.25
TPSA57.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(4-methoxyphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine (CID 135891231) is N-[(4-methoxyphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine is COc1ccc(C/N=C2\Nc3ccccc3NC23CCNCC3)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine?
The InChIKey is YGXIIONGCSLISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-25-16-8-6-15(7-9-16)14-22-19-20(10-12-21-13-11-20)24-18-5-3-2-4-17(18)23-19/h2-9,21,24H,10-14H2,1H3,(H,22,23).
What are the key properties of N-[(4-methoxyphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine?
N-[(4-methoxyphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine has a molecular weight of 336.44 g/mol, XLogP of 3.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine is sourced from PubChem (CID 135891231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).