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

C14H17FN2O3 — CID 156866620

IUPACN-(2,6-dioxopiperidin-3-yl)-3-fluoro-4-methylcyclohepta-1,6-diene-1-carboxamide
SMILESCC1CC=CC(C(=O)NC2CCC(=O)NC2=O)=CC1F
InChIInChI=1S/C14H17FN2O3/c1-8-3-2-4-9(7-10(8)15)13(19)16-11-5-6-12(18)17-14(11)20/h2,4,7-8,10-11H,3,5-6H2,1H3,(H,16,19)(H,17,18,20)
InChIKeyDNWJQRACOANIEK-UHFFFAOYSA-N
MW280.30 g/mol
LogP0.77
Rot. Bonds2

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

N-(2,6-dioxopiperidin-3-yl)-3-fluoro-4-methylcyclohepta-1,6-diene-1-carboxamide (PubChem CID 156866620) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-3-fluoro-4-methylcyclohepta-1,6-diene-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-3-fluoro-4-methylcyclohepta-1,6-diene-1-carboxamide
PubChem CID156866620
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-3-fluoro-4-methylcyclohepta-1,6-diene-1-carboxamide
SMILESCC1CC=CC(C(=O)NC2CCC(=O)NC2=O)=CC1F
InChIInChI=1S/C14H17FN2O3/c1-8-3-2-4-9(7-10(8)15)13(19)16-11-5-6-12(18)17-14(11)20/h2,4,7-8,10-11H,3,5-6H2,1H3,(H,16,19)(H,17,18,20)
InChIKeyDNWJQRACOANIEK-UHFFFAOYSA-N
XLogP0.77
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 50.77
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
3-[3-[(1Z)-3-fluorobuta-1,3-dienyl]-4-methyl-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
CID 155468820
2-(2,6-Dioxopiperidin-3-yl)-5-fluoro-3a,4-dihydroisoindole-1,3-dione
CID 155677796
3-[5-oxo-4-[(1E)-2-(trifluoromethyl)buta-1,3-dienyl]-2H-pyrrol-1-yl]piperidine-2,6-dione
CID 156793781

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-3-fluoro-4-methylcyclohepta-1,6-diene-1-carboxamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-3-fluoro-4-methylcyclohepta-1,6-diene-1-carboxamide (CID 156866620) is N-(2,6-dioxopiperidin-3-yl)-3-fluoro-4-methylcyclohepta-1,6-diene-1-carboxamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-3-fluoro-4-methylcyclohepta-1,6-diene-1-carboxamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-3-fluoro-4-methylcyclohepta-1,6-diene-1-carboxamide is CC1CC=CC(C(=O)NC2CCC(=O)NC2=O)=CC1F.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-3-fluoro-4-methylcyclohepta-1,6-diene-1-carboxamide?
The InChIKey is DNWJQRACOANIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-8-3-2-4-9(7-10(8)15)13(19)16-11-5-6-12(18)17-14(11)20/h2,4,7-8,10-11H,3,5-6H2,1H3,(H,16,19)(H,17,18,20).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-3-fluoro-4-methylcyclohepta-1,6-diene-1-carboxamide?
N-(2,6-dioxopiperidin-3-yl)-3-fluoro-4-methylcyclohepta-1,6-diene-1-carboxamide has a molecular weight of 280.30 g/mol, XLogP of 0.77, 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)-3-fluoro-4-methylcyclohepta-1,6-diene-1-carboxamide is sourced from PubChem (CID 156866620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).