4,7,7-trimethyl-2,3-dioxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)bicyclo[2.2.1]heptane-1-carboxamide

C20H32N2O3 — CID 2920621

IUPAC4,7,7-trimethyl-2,3-dioxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)bicyclo[2.2.1]heptane-1-carboxamide
SMILESCC1(C)CC(NC(=O)C23CCC(C)(C(=O)C2=O)C3(C)C)CC(C)(C)N1
InChIInChI=1S/C20H32N2O3/c1-16(2)10-12(11-17(3,4)22-16)21-15(25)20-9-8-19(7,18(20,5)6)13(23)14(20)24/h12,22H,8-11H2,1-7H3,(H,21,25)
InChIKeyXGIZGPPIDPEERR-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.38
Rot. Bonds2

About 4,7,7-trimethyl-2,3-dioxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)bicyclo[2.2.1]heptane-1-carboxamide

4,7,7-trimethyl-2,3-dioxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)bicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 2920621) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is 4,7,7-trimethyl-2,3-dioxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)bicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound Name4,7,7-trimethyl-2,3-dioxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)bicyclo[2.2.1]heptane-1-carboxamide
PubChem CID2920621
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name4,7,7-trimethyl-2,3-dioxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)bicyclo[2.2.1]heptane-1-carboxamide
SMILESCC1(C)CC(NC(=O)C23CCC(C)(C(=O)C2=O)C3(C)C)CC(C)(C)N1
InChIInChI=1S/C20H32N2O3/c1-16(2)10-12(11-17(3,4)22-16)21-15(25)20-9-8-19(7,18(20,5)6)13(23)14(20)24/h12,22H,8-11H2,1-7H3,(H,21,25)
InChIKeyXGIZGPPIDPEERR-UHFFFAOYSA-N
XLogP2.38
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 4,7,7-trimethyl-2,3-dioxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)bicyclo[2.2.1]heptane-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 4,7,7-trimethyl-2,3-dioxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)bicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of 4,7,7-trimethyl-2,3-dioxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)bicyclo[2.2.1]heptane-1-carboxamide (CID 2920621) is 4,7,7-trimethyl-2,3-dioxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)bicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for 4,7,7-trimethyl-2,3-dioxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)bicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for 4,7,7-trimethyl-2,3-dioxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)bicyclo[2.2.1]heptane-1-carboxamide is CC1(C)CC(NC(=O)C23CCC(C)(C(=O)C2=O)C3(C)C)CC(C)(C)N1.
What is the InChIKey of 4,7,7-trimethyl-2,3-dioxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)bicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is XGIZGPPIDPEERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-16(2)10-12(11-17(3,4)22-16)21-15(25)20-9-8-19(7,18(20,5)6)13(23)14(20)24/h12,22H,8-11H2,1-7H3,(H,21,25).
What are the key properties of 4,7,7-trimethyl-2,3-dioxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)bicyclo[2.2.1]heptane-1-carboxamide?
4,7,7-trimethyl-2,3-dioxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)bicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,7-trimethyl-2,3-dioxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)bicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 2920621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).