1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-2-thiophen-2-ylethanone

C21H21N3OS — CID 14944974

IUPAC1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCC2(CC1)Nc1ccccc1-n1cccc12
InChIInChI=1S/C21H21N3OS/c25-20(15-16-5-4-14-26-16)23-12-9-21(10-13-23)19-8-3-11-24(19)18-7-2-1-6-17(18)22-21/h1-8,11,14,22H,9-10,12-13,15H2
InChIKeyNZBIRVAGWLNJDR-UHFFFAOYSA-N
MW363.49 g/mol
LogP4.02
Rot. Bonds2

About 1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-2-thiophen-2-ylethanone

1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-2-thiophen-2-ylethanone (PubChem CID 14944974) has the molecular formula C21H21N3OS and a molecular weight of 363.49 g/mol. Its IUPAC name is 1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-2-thiophen-2-ylethanone
PubChem CID14944974
Molecular FormulaC21H21N3OS
Molecular Weight363.49 g/mol
Exact Mass363.14
IUPAC Name1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCC2(CC1)Nc1ccccc1-n1cccc12
InChIInChI=1S/C21H21N3OS/c25-20(15-16-5-4-14-26-16)23-12-9-21(10-13-23)19-8-3-11-24(19)18-7-2-1-6-17(18)22-21/h1-8,11,14,22H,9-10,12-13,15H2
InChIKeyNZBIRVAGWLNJDR-UHFFFAOYSA-N
XLogP4.02
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylpropan-1-one
CID 53005079
4-(2-oxo-2-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylethyl)-1,4-benzoxazin-3-one
CID 53025825
spiro[5H-pyrrolo[1,2-a]quinoxaline-4,1'-cyclopropane]
CID 154709221
N-(2-methylpropyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 46357472
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
1H-indol-2-yl(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53005082
1-(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)propan-1-one
CID 53005094
2-(2-fluorophenyl)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110818292
N-(2,4-difluorophenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 22580635
N-(3-fluoro-4-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53030200
5-chloro-1'-(2-thiophen-2-ylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46169482
ethyl 4-[(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonylamino)methyl]cyclohexane-1-carboxylate
CID 53008760

Frequently Asked Questions

What is the IUPAC name of 1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-2-thiophen-2-ylethanone?
The IUPAC name of 1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-2-thiophen-2-ylethanone (CID 14944974) is 1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-2-thiophen-2-ylethanone?
The canonical SMILES for 1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCC2(CC1)Nc1ccccc1-n1cccc12.
What is the InChIKey of 1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-2-thiophen-2-ylethanone?
The InChIKey is NZBIRVAGWLNJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3OS/c25-20(15-16-5-4-14-26-16)23-12-9-21(10-13-23)19-8-3-11-24(19)18-7-2-1-6-17(18)22-21/h1-8,11,14,22H,9-10,12-13,15H2.
What are the key properties of 1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-2-thiophen-2-ylethanone?
1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-2-thiophen-2-ylethanone has a molecular weight of 363.49 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-2-thiophen-2-ylethanone is sourced from PubChem (CID 14944974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).