1'-[(2S)-2-hydroxy-3-methylbutanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

C17H23N3O3 — CID 96578484

IUPAC1'-[(2S)-2-hydroxy-3-methylbutanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESCC(C)[C@H](O)C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O
InChIInChI=1S/C17H23N3O3/c1-11(2)14(21)15(22)20-9-7-17(8-10-20)16(23)18-12-5-3-4-6-13(12)19-17/h3-6,11,14,19,21H,7-10H2,1-2H3,(H,18,23)/t14-/m0/s1
InChIKeyAJDGGVHLZOIBGU-AWEZNQCLSA-N
MW317.39 g/mol
LogP1.43
Rot. Bonds2

About 1'-[(2S)-2-hydroxy-3-methylbutanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

1'-[(2S)-2-hydroxy-3-methylbutanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (PubChem CID 96578484) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1'-[(2S)-2-hydroxy-3-methylbutanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[(2S)-2-hydroxy-3-methylbutanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
PubChem CID96578484
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name1'-[(2S)-2-hydroxy-3-methylbutanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESCC(C)[C@H](O)C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O
InChIInChI=1S/C17H23N3O3/c1-11(2)14(21)15(22)20-9-7-17(8-10-20)16(23)18-12-5-3-4-6-13(12)19-17/h3-6,11,14,19,21H,7-10H2,1-2H3,(H,18,23)/t14-/m0/s1
InChIKeyAJDGGVHLZOIBGU-AWEZNQCLSA-N
XLogP1.43
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1'-[(2S)-2-hydroxy-4-methylpentanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 96575565
1'-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 96573129
1'-[2-(4-fluorophenyl)-2-hydroxyacetyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70768044
1'-[(2R)-2-(2-methylimidazol-1-yl)propanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 97149961
1'-[(2S)-2-(2-chlorophenyl)-2-hydroxyacetyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 96571095
1'-[(2R)-2-pyrrolidin-1-ylbutanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 97155172
1'-propan-2-ylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70767469
1'-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 96574170
N-[(2S)-1-oxo-1-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)pentan-2-yl]acetamide
CID 97132124
1'-[(2R)-1-hydroxypropan-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 96580067
1'-(1-hydroxypropan-2-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70774354
1'-(oxolane-2-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70753038

Frequently Asked Questions

What is the IUPAC name of 1'-[(2S)-2-hydroxy-3-methylbutanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[(2S)-2-hydroxy-3-methylbutanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (CID 96578484) is 1'-[(2S)-2-hydroxy-3-methylbutanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[(2S)-2-hydroxy-3-methylbutanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[(2S)-2-hydroxy-3-methylbutanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is CC(C)[C@H](O)C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O.
What is the InChIKey of 1'-[(2S)-2-hydroxy-3-methylbutanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The InChIKey is AJDGGVHLZOIBGU-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-11(2)14(21)15(22)20-9-7-17(8-10-20)16(23)18-12-5-3-4-6-13(12)19-17/h3-6,11,14,19,21H,7-10H2,1-2H3,(H,18,23)/t14-/m0/s1.
What are the key properties of 1'-[(2S)-2-hydroxy-3-methylbutanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
1'-[(2S)-2-hydroxy-3-methylbutanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one has a molecular weight of 317.39 g/mol, XLogP of 1.43, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2S)-2-hydroxy-3-methylbutanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is sourced from PubChem (CID 96578484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).