1-[(4-pyrazol-1-ylphenyl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one

C22H23N5O — CID 70721786

IUPAC1-[(4-pyrazol-1-ylphenyl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one
SMILESO=C1N(Cc2ccc(-n3cccn3)cc2)c2ccccc2NC12CCNCC2
InChIInChI=1S/C22H23N5O/c28-21-22(10-13-23-14-11-22)25-19-4-1-2-5-20(19)26(21)16-17-6-8-18(9-7-17)27-15-3-12-24-27/h1-9,12,15,23,25H,10-11,13-14,16H2
InChIKeyAKADCQVJWUVQQM-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.95
Rot. Bonds3

About 1-[(4-pyrazol-1-ylphenyl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one

1-[(4-pyrazol-1-ylphenyl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one (PubChem CID 70721786) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-[(4-pyrazol-1-ylphenyl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1-[(4-pyrazol-1-ylphenyl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one
PubChem CID70721786
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name1-[(4-pyrazol-1-ylphenyl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one
SMILESO=C1N(Cc2ccc(-n3cccn3)cc2)c2ccccc2NC12CCNCC2
InChIInChI=1S/C22H23N5O/c28-21-22(10-13-23-14-11-22)25-19-4-1-2-5-20(19)26(21)16-17-6-8-18(9-7-17)27-15-3-12-24-27/h1-9,12,15,23,25H,10-11,13-14,16H2
InChIKeyAKADCQVJWUVQQM-UHFFFAOYSA-N
XLogP2.95
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-pyrazol-1-ylphenyl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one?
The IUPAC name of 1-[(4-pyrazol-1-ylphenyl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one (CID 70721786) is 1-[(4-pyrazol-1-ylphenyl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one.
What is the SMILES notation for 1-[(4-pyrazol-1-ylphenyl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one?
The canonical SMILES for 1-[(4-pyrazol-1-ylphenyl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one is O=C1N(Cc2ccc(-n3cccn3)cc2)c2ccccc2NC12CCNCC2.
What is the InChIKey of 1-[(4-pyrazol-1-ylphenyl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one?
The InChIKey is AKADCQVJWUVQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c28-21-22(10-13-23-14-11-22)25-19-4-1-2-5-20(19)26(21)16-17-6-8-18(9-7-17)27-15-3-12-24-27/h1-9,12,15,23,25H,10-11,13-14,16H2.
What are the key properties of 1-[(4-pyrazol-1-ylphenyl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one?
1-[(4-pyrazol-1-ylphenyl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one has a molecular weight of 373.46 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-pyrazol-1-ylphenyl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one is sourced from PubChem (CID 70721786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).