N-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methylcyclohexa-1,5-diene-1-carboxamide

C13H15FN2O3 — CID 166077811

IUPACN-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methylcyclohexa-1,5-diene-1-carboxamide
SMILESCC1C=C(C(=O)NC2CCC(=O)NC2=O)C=CC1F
InChIInChI=1S/C13H15FN2O3/c1-7-6-8(2-3-9(7)14)12(18)15-10-4-5-11(17)16-13(10)19/h2-3,6-7,9-10H,4-5H2,1H3,(H,15,18)(H,16,17,19)
InChIKeyLFRMMDQNFNDOGQ-UHFFFAOYSA-N
MW266.27 g/mol
LogP0.38
Rot. Bonds2

About N-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methylcyclohexa-1,5-diene-1-carboxamide

N-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methylcyclohexa-1,5-diene-1-carboxamide (PubChem CID 166077811) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methylcyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methylcyclohexa-1,5-diene-1-carboxamide
PubChem CID166077811
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methylcyclohexa-1,5-diene-1-carboxamide
SMILESCC1C=C(C(=O)NC2CCC(=O)NC2=O)C=CC1F
InChIInChI=1S/C13H15FN2O3/c1-7-6-8(2-3-9(7)14)12(18)15-10-4-5-11(17)16-13(10)19/h2-3,6-7,9-10H,4-5H2,1H3,(H,15,18)(H,16,17,19)
InChIKeyLFRMMDQNFNDOGQ-UHFFFAOYSA-N
XLogP0.38
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ornilactam A
CID 139589682
7,7,7-trifluoro-6-methyl-2-methylidene-N-(2-oxopiperidin-3-yl)hepta-3,5-dienamide
CID 123266509
2-(2,6-dioxopiperidin-3-yl)-5-fluoro-8H-cyclohepta[c]pyrrole-1,3-dione
CID 134581938
3-fluoro-3-(3-oxo-7,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione
CID 141245440
3-(4-ethenyl-5-oxo-3-prop-1-en-2-yl-2H-pyrrol-1-yl)-3-fluoropiperidine-2,6-dione
CID 142305948
3-[3-[(Z)-but-2-en-2-yl]-4-(1-fluoroethenyl)-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione
CID 142305955
3-[(3Z,4E)-3-(1-fluoroethylidene)-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]piperidine-2,6-dione
CID 142616400
(2Z,3E)-N-(2,6-dioxopiperidin-3-yl)-2-(1-fluoroethylidene)-3-formyl-N-methylhexa-3,5-dienamide
CID 142616415
3-[3-[(Z)-but-2-en-2-yl]-4-ethenyl-5-oxo-2H-pyrrol-1-yl]-3-fluoropiperidine-2,6-dione
CID 145382042
2-(2,6-Dioxopiperidin-3-yl)-7-fluoro-4,5-dihydroisoindole-1,3-dione
CID 147507530
3-[(3E,4E)-3-ethylidene-4-(2-fluoroprop-2-enylidene)-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione
CID 155357898
3-[3-[(1Z)-3-fluorobuta-1,3-dienyl]-4-methyl-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
CID 155468820

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methylcyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methylcyclohexa-1,5-diene-1-carboxamide (CID 166077811) is N-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methylcyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methylcyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methylcyclohexa-1,5-diene-1-carboxamide is CC1C=C(C(=O)NC2CCC(=O)NC2=O)C=CC1F.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methylcyclohexa-1,5-diene-1-carboxamide?
The InChIKey is LFRMMDQNFNDOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-7-6-8(2-3-9(7)14)12(18)15-10-4-5-11(17)16-13(10)19/h2-3,6-7,9-10H,4-5H2,1H3,(H,15,18)(H,16,17,19).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methylcyclohexa-1,5-diene-1-carboxamide?
N-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methylcyclohexa-1,5-diene-1-carboxamide has a molecular weight of 266.27 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methylcyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 166077811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).