1'-(1-hydroxypropan-2-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

C15H21N3O2 — CID 70774354

IUPAC1'-(1-hydroxypropan-2-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESCC(CO)N1CCC2(CC1)Nc1ccccc1NC2=O
InChIInChI=1S/C15H21N3O2/c1-11(10-19)18-8-6-15(7-9-18)14(20)16-12-4-2-3-5-13(12)17-15/h2-5,11,17,19H,6-10H2,1H3,(H,16,20)
InChIKeyXACOOCQMADGGNQ-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.27
Rot. Bonds2

About 1'-(1-hydroxypropan-2-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

1'-(1-hydroxypropan-2-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (PubChem CID 70774354) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1'-(1-hydroxypropan-2-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(1-hydroxypropan-2-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
PubChem CID70774354
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1'-(1-hydroxypropan-2-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESCC(CO)N1CCC2(CC1)Nc1ccccc1NC2=O
InChIInChI=1S/C15H21N3O2/c1-11(10-19)18-8-6-15(7-9-18)14(20)16-12-4-2-3-5-13(12)17-15/h2-5,11,17,19H,6-10H2,1H3,(H,16,20)
InChIKeyXACOOCQMADGGNQ-UHFFFAOYSA-N
XLogP1.27
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1'-[(2R)-1-hydroxypropan-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 96580067
1'-propan-2-ylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70767469
1'-hexan-2-ylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70754645
1'-[(2S)-4-phenylbutan-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 96579158
1'-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 96573129
1'-(2-hydroxyethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70768593
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)-2-pyrrolidin-1-ylbutanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 97155172
spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-one
CID 84697857
spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one
CID 12886753
1'-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70707006

Frequently Asked Questions

What is the IUPAC name of 1'-(1-hydroxypropan-2-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(1-hydroxypropan-2-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (CID 70774354) is 1'-(1-hydroxypropan-2-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(1-hydroxypropan-2-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(1-hydroxypropan-2-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is CC(CO)N1CCC2(CC1)Nc1ccccc1NC2=O.
What is the InChIKey of 1'-(1-hydroxypropan-2-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The InChIKey is XACOOCQMADGGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11(10-19)18-8-6-15(7-9-18)14(20)16-12-4-2-3-5-13(12)17-15/h2-5,11,17,19H,6-10H2,1H3,(H,16,20).
What are the key properties of 1'-(1-hydroxypropan-2-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
1'-(1-hydroxypropan-2-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one has a molecular weight of 275.35 g/mol, XLogP of 1.27, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(1-hydroxypropan-2-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is sourced from PubChem (CID 70774354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).