3-(3-oxo-8-phenyl-1,4-benzoxazin-4-yl)piperidine-2,6-dione

C19H16N2O4 — CID 170614983

IUPAC3-(3-oxo-8-phenyl-1,4-benzoxazin-4-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2C(=O)COc3c(-c4ccccc4)cccc32)C(=O)N1
InChIInChI=1S/C19H16N2O4/c22-16-10-9-15(19(24)20-16)21-14-8-4-7-13(12-5-2-1-3-6-12)18(14)25-11-17(21)23/h1-8,15H,9-11H2,(H,20,22,24)
InChIKeyQDOUGNVQICMASR-UHFFFAOYSA-N
MW336.35 g/mol
LogP1.88
Rot. Bonds2

About 3-(3-oxo-8-phenyl-1,4-benzoxazin-4-yl)piperidine-2,6-dione

3-(3-oxo-8-phenyl-1,4-benzoxazin-4-yl)piperidine-2,6-dione (PubChem CID 170614983) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 3-(3-oxo-8-phenyl-1,4-benzoxazin-4-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(3-oxo-8-phenyl-1,4-benzoxazin-4-yl)piperidine-2,6-dione
PubChem CID170614983
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name3-(3-oxo-8-phenyl-1,4-benzoxazin-4-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2C(=O)COc3c(-c4ccccc4)cccc32)C(=O)N1
InChIInChI=1S/C19H16N2O4/c22-16-10-9-15(19(24)20-16)21-14-8-4-7-13(12-5-2-1-3-6-12)18(14)25-11-17(21)23/h1-8,15H,9-11H2,(H,20,22,24)
InChIKeyQDOUGNVQICMASR-UHFFFAOYSA-N
XLogP1.88
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.88
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-[4-[4-(2,6-dioxopiperidin-3-yl)-3-oxo-1,4-benzoxazin-8-yl]piperazin-1-yl]acetic acid
CID 177116091
3-(2-oxo-5-phenyl-3,4-dihydroquinolin-1-yl)pyrrolidine-2,5-dione
CID 170614950
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-(3-oxo-4-phenyl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 156502012
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
2-(2,6-dioxopiperidin-3-yl)-4-(3-oxoazetidin-1-yl)isoindole-1,3-dione
CID 166143101
(3R)-3-(2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione
CID 121493318
bis((E)-but-2-enedioic acid);2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 175735508
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 71499176
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dihydrate
CID 135349767

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-8-phenyl-1,4-benzoxazin-4-yl)piperidine-2,6-dione?
The IUPAC name of 3-(3-oxo-8-phenyl-1,4-benzoxazin-4-yl)piperidine-2,6-dione (CID 170614983) is 3-(3-oxo-8-phenyl-1,4-benzoxazin-4-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(3-oxo-8-phenyl-1,4-benzoxazin-4-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(3-oxo-8-phenyl-1,4-benzoxazin-4-yl)piperidine-2,6-dione is O=C1CCC(N2C(=O)COc3c(-c4ccccc4)cccc32)C(=O)N1.
What is the InChIKey of 3-(3-oxo-8-phenyl-1,4-benzoxazin-4-yl)piperidine-2,6-dione?
The InChIKey is QDOUGNVQICMASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c22-16-10-9-15(19(24)20-16)21-14-8-4-7-13(12-5-2-1-3-6-12)18(14)25-11-17(21)23/h1-8,15H,9-11H2,(H,20,22,24).
What are the key properties of 3-(3-oxo-8-phenyl-1,4-benzoxazin-4-yl)piperidine-2,6-dione?
3-(3-oxo-8-phenyl-1,4-benzoxazin-4-yl)piperidine-2,6-dione has a molecular weight of 336.35 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-8-phenyl-1,4-benzoxazin-4-yl)piperidine-2,6-dione is sourced from PubChem (CID 170614983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).