3-(7-cyclopentyl-2,3-dihydro-1,4-benzoxazin-4-yl)piperidine-2,6-dione

C18H22N2O3 — CID 170614887

IUPAC3-(7-cyclopentyl-2,3-dihydro-1,4-benzoxazin-4-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2CCOc3cc(C4CCCC4)ccc32)C(=O)N1
InChIInChI=1S/C18H22N2O3/c21-17-8-7-15(18(22)19-17)20-9-10-23-16-11-13(5-6-14(16)20)12-3-1-2-4-12/h5-6,11-12,15H,1-4,7-10H2,(H,19,21,22)
InChIKeyVLTYACOJBNCFBT-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.35
Rot. Bonds2

About 3-(7-cyclopentyl-2,3-dihydro-1,4-benzoxazin-4-yl)piperidine-2,6-dione

3-(7-cyclopentyl-2,3-dihydro-1,4-benzoxazin-4-yl)piperidine-2,6-dione (PubChem CID 170614887) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-(7-cyclopentyl-2,3-dihydro-1,4-benzoxazin-4-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(7-cyclopentyl-2,3-dihydro-1,4-benzoxazin-4-yl)piperidine-2,6-dione
PubChem CID170614887
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name3-(7-cyclopentyl-2,3-dihydro-1,4-benzoxazin-4-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2CCOc3cc(C4CCCC4)ccc32)C(=O)N1
InChIInChI=1S/C18H22N2O3/c21-17-8-7-15(18(22)19-17)20-9-10-23-16-11-13(5-6-14(16)20)12-3-1-2-4-12/h5-6,11-12,15H,1-4,7-10H2,(H,19,21,22)
InChIKeyVLTYACOJBNCFBT-UHFFFAOYSA-N
XLogP2.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(7-cyclopentyl-2,3-dihydro-1,4-benzoxazin-4-yl)piperidine-2,6-dione with MolForge

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Related Compounds

3-(7-fluoro-8-piperidin-4-yl-2,3-dihydro-1,4-benzoxazin-4-yl)piperidine-2,6-dione
CID 170449923
(3R)-3-[7-[4-[4-[2-[(1R,5S)-3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyrimidin-4-yl]piperazin-1-yl]cyclohexyl]-2,3-dihydro-1,4-benzoxazin-4-yl]piperidine-2,6-dione
CID 170625407
3-(6-ethyl-3,4-dihydro-2H-quinolin-1-yl)piperidine-2,6-dione
CID 170614731
3-[6-[1-(4-methylcyclohexyl)piperidin-4-yl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 172589997
2-(2,6-dioxopiperidin-3-yl)-5-(1-methylpiperidin-4-yl)isoindole-1,3-dione
CID 165380103
(3R)-3-[6-[(4S)-1-benzylazepan-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 138577798
tert-butyl N-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-2,3-dihydro-1,4-benzoxazin-8-yl]piperidin-4-yl]-N-methylcarbamate
CID 170449913
3-[3-oxo-6-[(2S)-piperidin-2-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171545886
3-(5-piperidin-4-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
CID 167293608
3-[3-oxo-6-[1-[[5-oxo-4-(1,2-thiazol-5-yl)-2,3-dihydro-1,4-benzoxazepin-7-yl]methyl]piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167011317
3-[3-oxo-6-[1-[[5-oxo-4-(1,3-thiazol-5-yl)-2,3-dihydro-1,4-benzoxazepin-7-yl]methyl]piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167009871
(3R)-3-[6-[(1S,5R)-3-bicyclo[3.2.1]octanyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166778594

Frequently Asked Questions

What is the IUPAC name of 3-(7-cyclopentyl-2,3-dihydro-1,4-benzoxazin-4-yl)piperidine-2,6-dione?
The IUPAC name of 3-(7-cyclopentyl-2,3-dihydro-1,4-benzoxazin-4-yl)piperidine-2,6-dione (CID 170614887) is 3-(7-cyclopentyl-2,3-dihydro-1,4-benzoxazin-4-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(7-cyclopentyl-2,3-dihydro-1,4-benzoxazin-4-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(7-cyclopentyl-2,3-dihydro-1,4-benzoxazin-4-yl)piperidine-2,6-dione is O=C1CCC(N2CCOc3cc(C4CCCC4)ccc32)C(=O)N1.
What is the InChIKey of 3-(7-cyclopentyl-2,3-dihydro-1,4-benzoxazin-4-yl)piperidine-2,6-dione?
The InChIKey is VLTYACOJBNCFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c21-17-8-7-15(18(22)19-17)20-9-10-23-16-11-13(5-6-14(16)20)12-3-1-2-4-12/h5-6,11-12,15H,1-4,7-10H2,(H,19,21,22).
What are the key properties of 3-(7-cyclopentyl-2,3-dihydro-1,4-benzoxazin-4-yl)piperidine-2,6-dione?
3-(7-cyclopentyl-2,3-dihydro-1,4-benzoxazin-4-yl)piperidine-2,6-dione has a molecular weight of 314.39 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-cyclopentyl-2,3-dihydro-1,4-benzoxazin-4-yl)piperidine-2,6-dione is sourced from PubChem (CID 170614887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).