3-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)piperidine-2,6-dione

C16H21N3O2 — CID 170625595

IUPAC3-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)piperidine-2,6-dione
SMILESCC(C)N1CCN(C2CCC(=O)NC2=O)c2ccccc21
InChIInChI=1S/C16H21N3O2/c1-11(2)18-9-10-19(13-6-4-3-5-12(13)18)14-7-8-15(20)17-16(14)21/h3-6,11,14H,7-10H2,1-2H3,(H,17,20,21)
InChIKeyYRZKFXXDYXFTGW-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.53
Rot. Bonds2

About 3-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)piperidine-2,6-dione

3-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)piperidine-2,6-dione (PubChem CID 170625595) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)piperidine-2,6-dione
PubChem CID170625595
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)piperidine-2,6-dione
SMILESCC(C)N1CCN(C2CCC(=O)NC2=O)c2ccccc21
InChIInChI=1S/C16H21N3O2/c1-11(2)18-9-10-19(13-6-4-3-5-12(13)18)14-7-8-15(20)17-16(14)21/h3-6,11,14H,7-10H2,1-2H3,(H,17,20,21)
InChIKeyYRZKFXXDYXFTGW-UHFFFAOYSA-N
XLogP1.53
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
CID 3127917
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
3-[4-(4-methylpiperidin-1-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155177575
methylazanium;3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155746155
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
3-[2-oxo-5-(4-propan-2-ylpiperazin-1-yl)benzo[cd]indol-1-yl]piperidine-2,6-dione
CID 163259069
3-spiro[2H-indole-3,4'-piperidine]-1-ylpiperidine-2,6-dione
CID 177175702
3-(3-methylidene-1H-isoindol-2-yl)piperidine-2,6-dione
CID 165027847
3-[4-(4-cyclohexylpiperazin-1-yl)-2,3-dihydroindol-1-yl]piperidine-2,6-dione
CID 170625343
3-(6-ethyl-3,4-dihydro-2H-quinolin-1-yl)piperidine-2,6-dione
CID 170614731

Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)piperidine-2,6-dione?
The IUPAC name of 3-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)piperidine-2,6-dione (CID 170625595) is 3-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)piperidine-2,6-dione is CC(C)N1CCN(C2CCC(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)piperidine-2,6-dione?
The InChIKey is YRZKFXXDYXFTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11(2)18-9-10-19(13-6-4-3-5-12(13)18)14-7-8-15(20)17-16(14)21/h3-6,11,14H,7-10H2,1-2H3,(H,17,20,21).
What are the key properties of 3-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)piperidine-2,6-dione?
3-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)piperidine-2,6-dione has a molecular weight of 287.36 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 170625595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).