1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylpropan-1-one

C18H21N3O — CID 53005079

IUPAC1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylpropan-1-one
SMILESCCC(=O)N1CCC2(CC1)Nc1ccccc1-n1cccc12
InChIInChI=1S/C18H21N3O/c1-2-17(22)20-12-9-18(10-13-20)16-8-5-11-21(16)15-7-4-3-6-14(15)19-18/h3-8,11,19H,2,9-10,12-13H2,1H3
InChIKeyUXFKVRXCGIAOMR-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.13
Rot. Bonds1

About 1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylpropan-1-one

1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylpropan-1-one (PubChem CID 53005079) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylpropan-1-one.

Molecular Properties

Compound Name1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylpropan-1-one
PubChem CID53005079
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylpropan-1-one
SMILESCCC(=O)N1CCC2(CC1)Nc1ccccc1-n1cccc12
InChIInChI=1S/C18H21N3O/c1-2-17(22)20-12-9-18(10-13-20)16-8-5-11-21(16)15-7-4-3-6-14(15)19-18/h3-8,11,19H,2,9-10,12-13H2,1H3
InChIKeyUXFKVRXCGIAOMR-UHFFFAOYSA-N
XLogP3.13
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)propan-1-one
CID 53005094
1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-2-thiophen-2-ylethanone
CID 14944974
N-(2-methylpropyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 46357472
N-phenylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53008752
spiro[5H-pyrrolo[1,2-a]quinoxaline-4,1'-cyclopropane]
CID 154709221
1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 53025823
(2-fluorophenyl)-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylmethanone
CID 53025806
methyl 2-(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonylamino)propanoate
CID 46357467
4-(2-oxo-2-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylethyl)-1,4-benzoxazin-3-one
CID 53025825
(1S,2R,6S,7S)-4-(2-oxo-2-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98066611
ethyl 4-[(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonylamino)methyl]cyclohexane-1-carboxylate
CID 53008760
1H-indol-2-yl(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53005082

Frequently Asked Questions

What is the IUPAC name of 1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylpropan-1-one?
The IUPAC name of 1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylpropan-1-one (CID 53005079) is 1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylpropan-1-one.
What is the SMILES notation for 1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylpropan-1-one?
The canonical SMILES for 1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylpropan-1-one is CCC(=O)N1CCC2(CC1)Nc1ccccc1-n1cccc12.
What is the InChIKey of 1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylpropan-1-one?
The InChIKey is UXFKVRXCGIAOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-2-17(22)20-12-9-18(10-13-20)16-8-5-11-21(16)15-7-4-3-6-14(15)19-18/h3-8,11,19H,2,9-10,12-13H2,1H3.
What are the key properties of 1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylpropan-1-one?
1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylpropan-1-one has a molecular weight of 295.39 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylpropan-1-one is sourced from PubChem (CID 53005079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).