1-(2,2-dimethylpropyl)-1'-[(2-methyl-1H-imidazol-5-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one

C22H31N5O — CID 46993729

IUPAC1-(2,2-dimethylpropyl)-1'-[(2-methyl-1H-imidazol-5-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one
SMILESCc1ncc(CN2CCC3(CC2)Nc2ccccc2N(CC(C)(C)C)C3=O)[nH]1
InChIInChI=1S/C22H31N5O/c1-16-23-13-17(24-16)14-26-11-9-22(10-12-26)20(28)27(15-21(2,3)4)19-8-6-5-7-18(19)25-22/h5-8,13,25H,9-12,14-15H2,1-4H3,(H,23,24)
InChIKeyBSYAKAYCIHMLGJ-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.56
Rot. Bonds3

About 1-(2,2-dimethylpropyl)-1'-[(2-methyl-1H-imidazol-5-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one

1-(2,2-dimethylpropyl)-1'-[(2-methyl-1H-imidazol-5-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one (PubChem CID 46993729) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-1'-[(2-methyl-1H-imidazol-5-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-1'-[(2-methyl-1H-imidazol-5-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one
PubChem CID46993729
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC Name1-(2,2-dimethylpropyl)-1'-[(2-methyl-1H-imidazol-5-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one
SMILESCc1ncc(CN2CCC3(CC2)Nc2ccccc2N(CC(C)(C)C)C3=O)[nH]1
InChIInChI=1S/C22H31N5O/c1-16-23-13-17(24-16)14-26-11-9-22(10-12-26)20(28)27(15-21(2,3)4)19-8-6-5-7-18(19)25-22/h5-8,13,25H,9-12,14-15H2,1-4H3,(H,23,24)
InChIKeyBSYAKAYCIHMLGJ-UHFFFAOYSA-N
XLogP3.56
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-1'-[(2-methyl-1H-imidazol-5-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one?
The IUPAC name of 1-(2,2-dimethylpropyl)-1'-[(2-methyl-1H-imidazol-5-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one (CID 46993729) is 1-(2,2-dimethylpropyl)-1'-[(2-methyl-1H-imidazol-5-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-1'-[(2-methyl-1H-imidazol-5-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one?
The canonical SMILES for 1-(2,2-dimethylpropyl)-1'-[(2-methyl-1H-imidazol-5-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one is Cc1ncc(CN2CCC3(CC2)Nc2ccccc2N(CC(C)(C)C)C3=O)[nH]1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-1'-[(2-methyl-1H-imidazol-5-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one?
The InChIKey is BSYAKAYCIHMLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-16-23-13-17(24-16)14-26-11-9-22(10-12-26)20(28)27(15-21(2,3)4)19-8-6-5-7-18(19)25-22/h5-8,13,25H,9-12,14-15H2,1-4H3,(H,23,24).
What are the key properties of 1-(2,2-dimethylpropyl)-1'-[(2-methyl-1H-imidazol-5-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one?
1-(2,2-dimethylpropyl)-1'-[(2-methyl-1H-imidazol-5-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one has a molecular weight of 381.52 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-1'-[(2-methyl-1H-imidazol-5-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one is sourced from PubChem (CID 46993729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).