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

C12H13FN2O3 — CID 166077397

IUPACN-(2,6-dioxopiperidin-3-yl)-4-fluorocyclohexa-1,5-diene-1-carboxamide
SMILESO=C1CCC(NC(=O)C2=CCC(F)C=C2)C(=O)N1
InChIInChI=1S/C12H13FN2O3/c13-8-3-1-7(2-4-8)11(17)14-9-5-6-10(16)15-12(9)18/h1-3,8-9H,4-6H2,(H,14,17)(H,15,16,18)
InChIKeyOINSPLDAUSEXNX-UHFFFAOYSA-N
MW252.24 g/mol
LogP0.13
Rot. Bonds2

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

N-(2,6-dioxopiperidin-3-yl)-4-fluorocyclohexa-1,5-diene-1-carboxamide (PubChem CID 166077397) has the molecular formula C12H13FN2O3 and a molecular weight of 252.24 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-4-fluorocyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-4-fluorocyclohexa-1,5-diene-1-carboxamide
PubChem CID166077397
Molecular FormulaC12H13FN2O3
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-4-fluorocyclohexa-1,5-diene-1-carboxamide
SMILESO=C1CCC(NC(=O)C2=CCC(F)C=C2)C(=O)N1
InChIInChI=1S/C12H13FN2O3/c13-8-3-1-7(2-4-8)11(17)14-9-5-6-10(16)15-12(9)18/h1-3,8-9H,4-6H2,(H,14,17)(H,15,16,18)
InChIKeyOINSPLDAUSEXNX-UHFFFAOYSA-N
XLogP0.13
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2,6-dioxopiperidin-3-yl)-4-fluorocyclohexa-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)-4-fluorocyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-4-fluorocyclohexa-1,5-diene-1-carboxamide (CID 166077397) is N-(2,6-dioxopiperidin-3-yl)-4-fluorocyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-4-fluorocyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-4-fluorocyclohexa-1,5-diene-1-carboxamide is O=C1CCC(NC(=O)C2=CCC(F)C=C2)C(=O)N1.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-4-fluorocyclohexa-1,5-diene-1-carboxamide?
The InChIKey is OINSPLDAUSEXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3/c13-8-3-1-7(2-4-8)11(17)14-9-5-6-10(16)15-12(9)18/h1-3,8-9H,4-6H2,(H,14,17)(H,15,16,18).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-4-fluorocyclohexa-1,5-diene-1-carboxamide?
N-(2,6-dioxopiperidin-3-yl)-4-fluorocyclohexa-1,5-diene-1-carboxamide has a molecular weight of 252.24 g/mol, XLogP of 0.13, 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-fluorocyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 166077397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).