3-[[5-fluoro-3-(2-methylprop-2-enyl)cyclohexa-1,5-dien-1-yl]amino]piperidine-2,6-dione

C15H19FN2O2 — CID 177003051

IUPAC3-[[5-fluoro-3-(2-methylprop-2-enyl)cyclohexa-1,5-dien-1-yl]amino]piperidine-2,6-dione
SMILESC=C(C)CC1C=C(NC2CCC(=O)NC2=O)C=C(F)C1
InChIInChI=1S/C15H19FN2O2/c1-9(2)5-10-6-11(16)8-12(7-10)17-13-3-4-14(19)18-15(13)20/h7-8,10,13,17H,1,3-6H2,2H3,(H,18,19,20)
InChIKeyOLTXIWITFMHVSY-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.10
Rot. Bonds4

About 3-[[5-fluoro-3-(2-methylprop-2-enyl)cyclohexa-1,5-dien-1-yl]amino]piperidine-2,6-dione

3-[[5-fluoro-3-(2-methylprop-2-enyl)cyclohexa-1,5-dien-1-yl]amino]piperidine-2,6-dione (PubChem CID 177003051) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 3-[[5-fluoro-3-(2-methylprop-2-enyl)cyclohexa-1,5-dien-1-yl]amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[[5-fluoro-3-(2-methylprop-2-enyl)cyclohexa-1,5-dien-1-yl]amino]piperidine-2,6-dione
PubChem CID177003051
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name3-[[5-fluoro-3-(2-methylprop-2-enyl)cyclohexa-1,5-dien-1-yl]amino]piperidine-2,6-dione
SMILESC=C(C)CC1C=C(NC2CCC(=O)NC2=O)C=C(F)C1
InChIInChI=1S/C15H19FN2O2/c1-9(2)5-10-6-11(16)8-12(7-10)17-13-3-4-14(19)18-15(13)20/h7-8,10,13,17H,1,3-6H2,2H3,(H,18,19,20)
InChIKeyOLTXIWITFMHVSY-UHFFFAOYSA-N
XLogP2.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[[5-fluoro-3-(2-methylprop-2-enyl)cyclohexa-1,5-dien-1-yl]amino]piperidine-2,6-dione with MolForge

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Related Compounds

3-[methyl-[(3E,5E)-5-(trifluoromethyl)octa-1,3,5,7-tetraen-3-yl]amino]piperidine-2,6-dione
CID 170232008
3-[5-[(E)-2-fluorobut-1-enyl]-4-methyl-2,3-dihydropyrrol-1-yl]piperidine-2,6-dione
CID 170614758
3-(3-Fluoro-4-piperazin-1-ylcyclohexa-1,5-dien-1-yl)piperidine-2,6-dione
CID 170625589
N-[6-[(2,6-dioxopiperidin-3-yl)-methylamino]-2-fluoro-3-propan-2-ylcyclohexa-2,4-dien-1-yl]-N-methylformamide
CID 170952079
3-[[4-[1-(4-Aminocyclohexyl)piperidin-4-yl]-3-fluorocyclohexa-1,3-dien-1-yl]amino]piperidine-2,6-dione
CID 172589819
3-[5-(aminomethyl)-4-fluoro-7-methyl-3-oxo-6,7-dihydro-1H-isoindol-2-yl]piperidine-2,6-dione
CID 176717740
3-[[(2E,4Z)-4-fluoro-5-methylhepta-2,4-dien-2-yl]amino]piperidine-2,6-dione
CID 178979184
(2S,4S)-2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide;hydrochloride
CID 120615778
(2S,4S)-2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide
CID 120615779
N-(2,6-dioxopiperidin-3-yl)-3-fluoro-4-methylcyclohepta-1,6-diene-1-carboxamide
CID 156866620
4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-2,6-difluorocyclohepta-1,3,6-triene-1-carboxamide
CID 166077673
N-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methylcyclohexa-1,5-diene-1-carboxamide
CID 166077811

Frequently Asked Questions

What is the IUPAC name of 3-[[5-fluoro-3-(2-methylprop-2-enyl)cyclohexa-1,5-dien-1-yl]amino]piperidine-2,6-dione?
The IUPAC name of 3-[[5-fluoro-3-(2-methylprop-2-enyl)cyclohexa-1,5-dien-1-yl]amino]piperidine-2,6-dione (CID 177003051) is 3-[[5-fluoro-3-(2-methylprop-2-enyl)cyclohexa-1,5-dien-1-yl]amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[[5-fluoro-3-(2-methylprop-2-enyl)cyclohexa-1,5-dien-1-yl]amino]piperidine-2,6-dione?
The canonical SMILES for 3-[[5-fluoro-3-(2-methylprop-2-enyl)cyclohexa-1,5-dien-1-yl]amino]piperidine-2,6-dione is C=C(C)CC1C=C(NC2CCC(=O)NC2=O)C=C(F)C1.
What is the InChIKey of 3-[[5-fluoro-3-(2-methylprop-2-enyl)cyclohexa-1,5-dien-1-yl]amino]piperidine-2,6-dione?
The InChIKey is OLTXIWITFMHVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-9(2)5-10-6-11(16)8-12(7-10)17-13-3-4-14(19)18-15(13)20/h7-8,10,13,17H,1,3-6H2,2H3,(H,18,19,20).
What are the key properties of 3-[[5-fluoro-3-(2-methylprop-2-enyl)cyclohexa-1,5-dien-1-yl]amino]piperidine-2,6-dione?
3-[[5-fluoro-3-(2-methylprop-2-enyl)cyclohexa-1,5-dien-1-yl]amino]piperidine-2,6-dione has a molecular weight of 278.33 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-fluoro-3-(2-methylprop-2-enyl)cyclohexa-1,5-dien-1-yl]amino]piperidine-2,6-dione is sourced from PubChem (CID 177003051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).