2,2-dimethyl-5-[[4-(3-methylpiperidine-1-carbonyl)anilino]methylidene]-1,3-dioxane-4,6-dione

C20H24N2O5 — CID 168537449

IUPAC2,2-dimethyl-5-[[4-(3-methylpiperidine-1-carbonyl)anilino]methylidene]-1,3-dioxane-4,6-dione
SMILESCC1CCCN(C(=O)c2ccc(NC=C3C(=O)OC(C)(C)OC3=O)cc2)C1
InChIInChI=1S/C20H24N2O5/c1-13-5-4-10-22(12-13)17(23)14-6-8-15(9-7-14)21-11-16-18(24)26-20(2,3)27-19(16)25/h6-9,11,13,21H,4-5,10,12H2,1-3H3
InChIKeyBRSHGVAHPYRAMA-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.69
Rot. Bonds3

About 2,2-dimethyl-5-[[4-(3-methylpiperidine-1-carbonyl)anilino]methylidene]-1,3-dioxane-4,6-dione

2,2-dimethyl-5-[[4-(3-methylpiperidine-1-carbonyl)anilino]methylidene]-1,3-dioxane-4,6-dione (PubChem CID 168537449) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2,2-dimethyl-5-[[4-(3-methylpiperidine-1-carbonyl)anilino]methylidene]-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name2,2-dimethyl-5-[[4-(3-methylpiperidine-1-carbonyl)anilino]methylidene]-1,3-dioxane-4,6-dione
PubChem CID168537449
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name2,2-dimethyl-5-[[4-(3-methylpiperidine-1-carbonyl)anilino]methylidene]-1,3-dioxane-4,6-dione
SMILESCC1CCCN(C(=O)c2ccc(NC=C3C(=O)OC(C)(C)OC3=O)cc2)C1
InChIInChI=1S/C20H24N2O5/c1-13-5-4-10-22(12-13)17(23)14-6-8-15(9-7-14)21-11-16-18(24)26-20(2,3)27-19(16)25/h6-9,11,13,21H,4-5,10,12H2,1-3H3
InChIKeyBRSHGVAHPYRAMA-UHFFFAOYSA-N
XLogP2.69
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 2,2-dimethyl-5-[[4-(3-methylpiperidine-1-carbonyl)anilino]methylidene]-1,3-dioxane-4,6-dione with MolForge

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Related Compounds

5-[[3-(azepane-1-carbonyl)anilino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 26159639
5-[[3,5-bis(2-methylpiperidine-1-carbonyl)anilino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168539360
1-[4-[4-(3-methylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone
CID 109046471
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-N-ethylbenzamide
CID 17234429
N-(4-chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048985
N-(3,4-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109049038
tert-butyl 4-[4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]anilino]piperidine-1-carboxylate
CID 168539252
[(3S)-3-methylpiperidin-1-yl]-(4-nitrophenyl)methanone
CID 40543994
5-[[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]anilino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 6273003
[3-(3-methylpiperidine-1-carbonyl)phenyl]-piperidin-1-ylmethanone
CID 109052035
(2,2,6,6-tetramethylpiperidin-4-yl) 4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]benzoate
CID 168541042

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[[4-(3-methylpiperidine-1-carbonyl)anilino]methylidene]-1,3-dioxane-4,6-dione?
The IUPAC name of 2,2-dimethyl-5-[[4-(3-methylpiperidine-1-carbonyl)anilino]methylidene]-1,3-dioxane-4,6-dione (CID 168537449) is 2,2-dimethyl-5-[[4-(3-methylpiperidine-1-carbonyl)anilino]methylidene]-1,3-dioxane-4,6-dione.
What is the SMILES notation for 2,2-dimethyl-5-[[4-(3-methylpiperidine-1-carbonyl)anilino]methylidene]-1,3-dioxane-4,6-dione?
The canonical SMILES for 2,2-dimethyl-5-[[4-(3-methylpiperidine-1-carbonyl)anilino]methylidene]-1,3-dioxane-4,6-dione is CC1CCCN(C(=O)c2ccc(NC=C3C(=O)OC(C)(C)OC3=O)cc2)C1.
What is the InChIKey of 2,2-dimethyl-5-[[4-(3-methylpiperidine-1-carbonyl)anilino]methylidene]-1,3-dioxane-4,6-dione?
The InChIKey is BRSHGVAHPYRAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-13-5-4-10-22(12-13)17(23)14-6-8-15(9-7-14)21-11-16-18(24)26-20(2,3)27-19(16)25/h6-9,11,13,21H,4-5,10,12H2,1-3H3.
What are the key properties of 2,2-dimethyl-5-[[4-(3-methylpiperidine-1-carbonyl)anilino]methylidene]-1,3-dioxane-4,6-dione?
2,2-dimethyl-5-[[4-(3-methylpiperidine-1-carbonyl)anilino]methylidene]-1,3-dioxane-4,6-dione has a molecular weight of 372.42 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[[4-(3-methylpiperidine-1-carbonyl)anilino]methylidene]-1,3-dioxane-4,6-dione is sourced from PubChem (CID 168537449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).