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

C18H21N3O — CID 92585524

IUPAC1-spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-5'-ylpropan-1-one
SMILESCCC(=O)N1c2ccccc2-n2cccc2C12CCNCC2
InChIInChI=1S/C18H21N3O/c1-2-17(22)21-15-7-4-3-6-14(15)20-13-5-8-16(20)18(21)9-11-19-12-10-18/h3-8,13,19H,2,9-12H2,1H3
InChIKeyHBABINVUIXEWEL-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.81
Rot. Bonds1

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

1-spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-5'-ylpropan-1-one (PubChem CID 92585524) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-5'-ylpropan-1-one.

Molecular Properties

Compound Name1-spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-5'-ylpropan-1-one
PubChem CID92585524
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name1-spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-5'-ylpropan-1-one
SMILESCCC(=O)N1c2ccccc2-n2cccc2C12CCNCC2
InChIInChI=1S/C18H21N3O/c1-2-17(22)21-15-7-4-3-6-14(15)20-13-5-8-16(20)18(21)9-11-19-12-10-18/h3-8,13,19H,2,9-12H2,1H3
InChIKeyHBABINVUIXEWEL-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-5'-ylpropan-1-one?
The IUPAC name of 1-spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-5'-ylpropan-1-one (CID 92585524) is 1-spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-5'-ylpropan-1-one.
What is the SMILES notation for 1-spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-5'-ylpropan-1-one?
The canonical SMILES for 1-spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-5'-ylpropan-1-one is CCC(=O)N1c2ccccc2-n2cccc2C12CCNCC2.
What is the InChIKey of 1-spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-5'-ylpropan-1-one?
The InChIKey is HBABINVUIXEWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-2-17(22)21-15-7-4-3-6-14(15)20-13-5-8-16(20)18(21)9-11-19-12-10-18/h3-8,13,19H,2,9-12H2,1H3.
What are the key properties of 1-spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-5'-ylpropan-1-one?
1-spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-5'-ylpropan-1-one has a molecular weight of 295.39 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-5'-ylpropan-1-one is sourced from PubChem (CID 92585524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).