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

C13H16N2O3 — CID 166078027

IUPACN-(2,6-dioxopiperidin-3-yl)-3-methylcyclohexa-1,5-diene-1-carboxamide
SMILESCC1C=C(C(=O)NC2CCC(=O)NC2=O)C=CC1
InChIInChI=1S/C13H16N2O3/c1-8-3-2-4-9(7-8)12(17)14-10-5-6-11(16)15-13(10)18/h2,4,7-8,10H,3,5-6H2,1H3,(H,14,17)(H,15,16,18)
InChIKeyLRWXCHPDDBLQQO-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.43
Rot. Bonds2

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

N-(2,6-dioxopiperidin-3-yl)-3-methylcyclohexa-1,5-diene-1-carboxamide (PubChem CID 166078027) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-3-methylcyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-3-methylcyclohexa-1,5-diene-1-carboxamide
PubChem CID166078027
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-3-methylcyclohexa-1,5-diene-1-carboxamide
SMILESCC1C=C(C(=O)NC2CCC(=O)NC2=O)C=CC1
InChIInChI=1S/C13H16N2O3/c1-8-3-2-4-9(7-8)12(17)14-10-5-6-11(16)15-13(10)18/h2,4,7-8,10H,3,5-6H2,1H3,(H,14,17)(H,15,16,18)
InChIKeyLRWXCHPDDBLQQO-UHFFFAOYSA-N
XLogP0.43
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.43
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)-3-methylcyclohexa-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)-3-methylcyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-3-methylcyclohexa-1,5-diene-1-carboxamide (CID 166078027) is N-(2,6-dioxopiperidin-3-yl)-3-methylcyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-3-methylcyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-3-methylcyclohexa-1,5-diene-1-carboxamide is CC1C=C(C(=O)NC2CCC(=O)NC2=O)C=CC1.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-3-methylcyclohexa-1,5-diene-1-carboxamide?
The InChIKey is LRWXCHPDDBLQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8-3-2-4-9(7-8)12(17)14-10-5-6-11(16)15-13(10)18/h2,4,7-8,10H,3,5-6H2,1H3,(H,14,17)(H,15,16,18).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-3-methylcyclohexa-1,5-diene-1-carboxamide?
N-(2,6-dioxopiperidin-3-yl)-3-methylcyclohexa-1,5-diene-1-carboxamide has a molecular weight of 248.28 g/mol, XLogP of 0.43, 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-methylcyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 166078027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).