3-(7-fluoro-8-piperidin-4-yl-2,3-dihydro-1,4-benzoxazin-4-yl)piperidine-2,6-dione

C18H22FN3O3 — CID 170449923

IUPAC3-(7-fluoro-8-piperidin-4-yl-2,3-dihydro-1,4-benzoxazin-4-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2CCOc3c2ccc(F)c3C2CCNCC2)C(=O)N1
InChIInChI=1S/C18H22FN3O3/c19-12-1-2-13-17(16(12)11-5-7-20-8-6-11)25-10-9-22(13)14-3-4-15(23)21-18(14)24/h1-2,11,14,20H,3-10H2,(H,21,23,24)
InChIKeyCWXWYLGFIBPLDB-UHFFFAOYSA-N
MW347.39 g/mol
LogP1.30
Rot. Bonds2

About 3-(7-fluoro-8-piperidin-4-yl-2,3-dihydro-1,4-benzoxazin-4-yl)piperidine-2,6-dione

3-(7-fluoro-8-piperidin-4-yl-2,3-dihydro-1,4-benzoxazin-4-yl)piperidine-2,6-dione (PubChem CID 170449923) has the molecular formula C18H22FN3O3 and a molecular weight of 347.39 g/mol. Its IUPAC name is 3-(7-fluoro-8-piperidin-4-yl-2,3-dihydro-1,4-benzoxazin-4-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(7-fluoro-8-piperidin-4-yl-2,3-dihydro-1,4-benzoxazin-4-yl)piperidine-2,6-dione
PubChem CID170449923
Molecular FormulaC18H22FN3O3
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC Name3-(7-fluoro-8-piperidin-4-yl-2,3-dihydro-1,4-benzoxazin-4-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2CCOc3c2ccc(F)c3C2CCNCC2)C(=O)N1
InChIInChI=1S/C18H22FN3O3/c19-12-1-2-13-17(16(12)11-5-7-20-8-6-11)25-10-9-22(13)14-3-4-15(23)21-18(14)24/h1-2,11,14,20H,3-10H2,(H,21,23,24)
InChIKeyCWXWYLGFIBPLDB-UHFFFAOYSA-N
XLogP1.30
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(7-fluoro-8-piperidin-4-yl-2,3-dihydro-1,4-benzoxazin-4-yl)piperidine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

3-(7-cyclopentyl-2,3-dihydro-1,4-benzoxazin-4-yl)piperidine-2,6-dione
CID 170614887
3-(4-fluoro-7-iodo-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 134348219
3-(5-fluoro-3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride
CID 156787370
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
2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-piperidin-4-ylisoindole-1,3-dione
CID 170313071
(3S)-3-(3-fluoro-2-piperidin-4-ylanilino)piperidine-2,6-dione;hydrochloride
CID 170728957
3-(5-fluoro-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride
CID 155229339
3-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)piperidine-2,6-dione
CID 170625595
3-(4-piperidin-4-ylpiperidin-1-yl)piperidine-2,6-dione
CID 177057043
3-[5-fluoro-6-[4-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169310457
3-(4-fluoro-3-piperazin-1-ylphenyl)piperidine-2,6-dione
CID 177028079
2-(2,6-dioxopiperidin-3-yl)-4-fluoro-7-methylisoindole-1,3-dione
CID 131999738

Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-8-piperidin-4-yl-2,3-dihydro-1,4-benzoxazin-4-yl)piperidine-2,6-dione?
The IUPAC name of 3-(7-fluoro-8-piperidin-4-yl-2,3-dihydro-1,4-benzoxazin-4-yl)piperidine-2,6-dione (CID 170449923) is 3-(7-fluoro-8-piperidin-4-yl-2,3-dihydro-1,4-benzoxazin-4-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(7-fluoro-8-piperidin-4-yl-2,3-dihydro-1,4-benzoxazin-4-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(7-fluoro-8-piperidin-4-yl-2,3-dihydro-1,4-benzoxazin-4-yl)piperidine-2,6-dione is O=C1CCC(N2CCOc3c2ccc(F)c3C2CCNCC2)C(=O)N1.
What is the InChIKey of 3-(7-fluoro-8-piperidin-4-yl-2,3-dihydro-1,4-benzoxazin-4-yl)piperidine-2,6-dione?
The InChIKey is CWXWYLGFIBPLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3/c19-12-1-2-13-17(16(12)11-5-7-20-8-6-11)25-10-9-22(13)14-3-4-15(23)21-18(14)24/h1-2,11,14,20H,3-10H2,(H,21,23,24).
What are the key properties of 3-(7-fluoro-8-piperidin-4-yl-2,3-dihydro-1,4-benzoxazin-4-yl)piperidine-2,6-dione?
3-(7-fluoro-8-piperidin-4-yl-2,3-dihydro-1,4-benzoxazin-4-yl)piperidine-2,6-dione has a molecular weight of 347.39 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-8-piperidin-4-yl-2,3-dihydro-1,4-benzoxazin-4-yl)piperidine-2,6-dione is sourced from PubChem (CID 170449923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).