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

C17H20N4S — CID 137104880

IUPACN-(thiophen-2-ylmethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
SMILESc1csc(C/N=C2\Nc3ccccc3NC23CCNCC3)c1
InChIInChI=1S/C17H20N4S/c1-2-6-15-14(5-1)20-16(19-12-13-4-3-11-22-13)17(21-15)7-9-18-10-8-17/h1-6,11,18,21H,7-10,12H2,(H,19,20)
InChIKeyNELUUEZSWMQQTK-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.31
Rot. Bonds2

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

N-(thiophen-2-ylmethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine (PubChem CID 137104880) has the molecular formula C17H20N4S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
PubChem CID137104880
Molecular FormulaC17H20N4S
Molecular Weight312.44 g/mol
Exact Mass312.14
IUPAC NameN-(thiophen-2-ylmethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
SMILESc1csc(C/N=C2\Nc3ccccc3NC23CCNCC3)c1
InChIInChI=1S/C17H20N4S/c1-2-6-15-14(5-1)20-16(19-12-13-4-3-11-22-13)17(21-15)7-9-18-10-8-17/h1-6,11,18,21H,7-10,12H2,(H,19,20)
InChIKeyNELUUEZSWMQQTK-UHFFFAOYSA-N
XLogP3.31
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-bromophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
CID 137105248
N-[(4-methoxyphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
CID 135891231
N-[(2,6-difluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine
CID 137105510
N-benzyl-8-(trifluoromethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
CID 137105325
N-[(2-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine
CID 137104770
N-methyl-4-[(spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-ylideneamino)methyl]aniline
CID 137104942
N-[(2-propan-2-ylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-imine
CID 137138361
N-[(4-tert-butylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine
CID 137105507
7-bromo-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
CID 137104906
N-[(2,3-dimethylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine
CID 137105092
N-[(2,4-dichloro-5-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-imine
CID 137104968
N-(pyridazin-4-ylmethyl)spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine
CID 137105530

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine?
The IUPAC name of N-(thiophen-2-ylmethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine (CID 137104880) is N-(thiophen-2-ylmethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine.
What is the SMILES notation for N-(thiophen-2-ylmethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine?
The canonical SMILES for N-(thiophen-2-ylmethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine is c1csc(C/N=C2\Nc3ccccc3NC23CCNCC3)c1.
What is the InChIKey of N-(thiophen-2-ylmethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine?
The InChIKey is NELUUEZSWMQQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4S/c1-2-6-15-14(5-1)20-16(19-12-13-4-3-11-22-13)17(21-15)7-9-18-10-8-17/h1-6,11,18,21H,7-10,12H2,(H,19,20).
What are the key properties of N-(thiophen-2-ylmethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine?
N-(thiophen-2-ylmethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine has a molecular weight of 312.44 g/mol, XLogP of 3.31, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine is sourced from PubChem (CID 137104880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).