1'-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

C20H20ClN3O3 — CID 96574170

IUPAC1'-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESO=C([C@H](O)c1cccc(Cl)c1)N1CCC2(CC1)Nc1ccccc1NC2=O
InChIInChI=1S/C20H20ClN3O3/c21-14-5-3-4-13(12-14)17(25)18(26)24-10-8-20(9-11-24)19(27)22-15-6-1-2-7-16(15)23-20/h1-7,12,17,23,25H,8-11H2,(H,22,27)/t17-/m1/s1
InChIKeyIFORTLLIHXHVDG-QGZVFWFLSA-N
MW385.85 g/mol
LogP2.80
Rot. Bonds2

About 1'-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

1'-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (PubChem CID 96574170) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is 1'-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
PubChem CID96574170
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC Name1'-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESO=C([C@H](O)c1cccc(Cl)c1)N1CCC2(CC1)Nc1ccccc1NC2=O
InChIInChI=1S/C20H20ClN3O3/c21-14-5-3-4-13(12-14)17(25)18(26)24-10-8-20(9-11-24)19(27)22-15-6-1-2-7-16(15)23-20/h1-7,12,17,23,25H,8-11H2,(H,22,27)/t17-/m1/s1
InChIKeyIFORTLLIHXHVDG-QGZVFWFLSA-N
XLogP2.80
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1'-[2-(4-fluorophenyl)-2-hydroxyacetyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70768044
1'-[(2S)-2-(2-chlorophenyl)-2-hydroxyacetyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 96571095
1'-[(2S)-2-hydroxy-3-methylbutanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 96578484
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'-[(2R)-2-pyrrolidin-1-ylbutanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 97155172
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
2-(3-chlorophenyl)-2-hydroxy-1-(9-oxa-2-azaspiro[5.5]undecan-2-yl)ethanone
CID 118771498
N-[(2S)-1-oxo-1-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)pentan-2-yl]acetamide
CID 97132124
1'-[(2R)-2-(2-methylimidazol-1-yl)propanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 97149961
1'-(2-hydroxyethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70768593

Frequently Asked Questions

What is the IUPAC name of 1'-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (CID 96574170) is 1'-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is O=C([C@H](O)c1cccc(Cl)c1)N1CCC2(CC1)Nc1ccccc1NC2=O.
What is the InChIKey of 1'-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The InChIKey is IFORTLLIHXHVDG-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c21-14-5-3-4-13(12-14)17(25)18(26)24-10-8-20(9-11-24)19(27)22-15-6-1-2-7-16(15)23-20/h1-7,12,17,23,25H,8-11H2,(H,22,27)/t17-/m1/s1.
What are the key properties of 1'-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
1'-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one has a molecular weight of 385.85 g/mol, XLogP of 2.80, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is sourced from PubChem (CID 96574170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).