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

C13H15FN2O4 — CID 171847113

IUPACN-(2,6-dioxopiperidin-3-yl)-5-fluoro-3-methoxycyclohexa-1,5-diene-1-carboxamide
SMILESCOC1C=C(C(=O)NC2CCC(=O)NC2=O)C=C(F)C1
InChIInChI=1S/C13H15FN2O4/c1-20-9-5-7(4-8(14)6-9)12(18)15-10-2-3-11(17)16-13(10)19/h4-5,9-10H,2-3,6H2,1H3,(H,15,18)(H,16,17,19)
InChIKeyNNZKUWFZDLAFNT-UHFFFAOYSA-N
MW282.27 g/mol
LogP0.11
Rot. Bonds3

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

N-(2,6-dioxopiperidin-3-yl)-5-fluoro-3-methoxycyclohexa-1,5-diene-1-carboxamide (PubChem CID 171847113) has the molecular formula C13H15FN2O4 and a molecular weight of 282.27 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-5-fluoro-3-methoxycyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-5-fluoro-3-methoxycyclohexa-1,5-diene-1-carboxamide
PubChem CID171847113
Molecular FormulaC13H15FN2O4
Molecular Weight282.27 g/mol
Exact Mass282.10
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-5-fluoro-3-methoxycyclohexa-1,5-diene-1-carboxamide
SMILESCOC1C=C(C(=O)NC2CCC(=O)NC2=O)C=C(F)C1
InChIInChI=1S/C13H15FN2O4/c1-20-9-5-7(4-8(14)6-9)12(18)15-10-2-3-11(17)16-13(10)19/h4-5,9-10H,2-3,6H2,1H3,(H,15,18)(H,16,17,19)
InChIKeyNNZKUWFZDLAFNT-UHFFFAOYSA-N
XLogP0.11
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2,6-dioxopiperidin-3-yl)-5-fluoro-3-methoxycyclohexa-1,5-diene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-5-fluoro-3-methoxycyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-5-fluoro-3-methoxycyclohexa-1,5-diene-1-carboxamide (CID 171847113) is N-(2,6-dioxopiperidin-3-yl)-5-fluoro-3-methoxycyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-5-fluoro-3-methoxycyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-5-fluoro-3-methoxycyclohexa-1,5-diene-1-carboxamide is COC1C=C(C(=O)NC2CCC(=O)NC2=O)C=C(F)C1.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-5-fluoro-3-methoxycyclohexa-1,5-diene-1-carboxamide?
The InChIKey is NNZKUWFZDLAFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O4/c1-20-9-5-7(4-8(14)6-9)12(18)15-10-2-3-11(17)16-13(10)19/h4-5,9-10H,2-3,6H2,1H3,(H,15,18)(H,16,17,19).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-5-fluoro-3-methoxycyclohexa-1,5-diene-1-carboxamide?
N-(2,6-dioxopiperidin-3-yl)-5-fluoro-3-methoxycyclohexa-1,5-diene-1-carboxamide has a molecular weight of 282.27 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-5-fluoro-3-methoxycyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 171847113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).