4-[[3-(cyclohex-3-en-1-ylmethoxy)phenyl]methylidene]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methylpiperidine-1-carboxamide

C26H33N3O3 — CID 66883719

About 4-[[3-(cyclohex-3-en-1-ylmethoxy)phenyl]methylidene]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methylpiperidine-1-carboxamide

4-[[3-(cyclohex-3-en-1-ylmethoxy)phenyl]methylidene]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methylpiperidine-1-carboxamide (PubChem CID 66883719) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is 4-[[3-(cyclohex-3-en-1-ylmethoxy)phenyl]methylidene]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methylpiperidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[[3-(cyclohex-3-en-1-ylmethoxy)phenyl]methylidene]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methylpiperidine-1-carboxamide
• PubChem CID: 66883719
• Molecular Formula: C26H33N3O3
• Molecular Weight: 435.57 g/mol
• Exact Mass: 435.25
• IUPAC Name: 4-[[3-(cyclohex-3-en-1-ylmethoxy)phenyl]methylidene]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methylpiperidine-1-carboxamide
• SMILES: Cc1onc(NC(=O)N2CCC(=Cc3cccc(OCC4CC=CCC4)c3)C(C)C2)c1C
• InChI: InChI=1S/C26H33N3O3/c1-18-16-29(26(30)27-25-19(2)20(3)32-28-25)13-12-23(18)14-22-10-7-11-24(15-22)31-17-21-8-5-4-6-9-21/h4-5,7,10-11,14-15,18,21H,6,8-9,12-13,16-17H2,1-3H3,(H,27,28,30)
• InChIKey: CYOONCRYYXZUKE-UHFFFAOYSA-N
• XLogP: 5.98
• TPSA: 67.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.57
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(cyclohex-3-en-1-ylmethoxy)phenyl]methylidene]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methylpiperidine-1-carboxamide?

The IUPAC name of 4-[[3-(cyclohex-3-en-1-ylmethoxy)phenyl]methylidene]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methylpiperidine-1-carboxamide (CID 66883719) is 4-[[3-(cyclohex-3-en-1-ylmethoxy)phenyl]methylidene]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methylpiperidine-1-carboxamide.

What is the SMILES notation for 4-[[3-(cyclohex-3-en-1-ylmethoxy)phenyl]methylidene]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methylpiperidine-1-carboxamide?

The canonical SMILES for 4-[[3-(cyclohex-3-en-1-ylmethoxy)phenyl]methylidene]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methylpiperidine-1-carboxamide is Cc1onc(NC(=O)N2CCC(=Cc3cccc(OCC4CC=CCC4)c3)C(C)C2)c1C.

What is the InChIKey of 4-[[3-(cyclohex-3-en-1-ylmethoxy)phenyl]methylidene]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methylpiperidine-1-carboxamide?

The InChIKey is CYOONCRYYXZUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-18-16-29(26(30)27-25-19(2)20(3)32-28-25)13-12-23(18)14-22-10-7-11-24(15-22)31-17-21-8-5-4-6-9-21/h4-5,7,10-11,14-15,18,21H,6,8-9,12-13,16-17H2,1-3H3,(H,27,28,30).

What are the key properties of 4-[[3-(cyclohex-3-en-1-ylmethoxy)phenyl]methylidene]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methylpiperidine-1-carboxamide?

4-[[3-(cyclohex-3-en-1-ylmethoxy)phenyl]methylidene]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methylpiperidine-1-carboxamide has a molecular weight of 435.57 g/mol, XLogP of 5.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[3-(cyclohex-3-en-1-ylmethoxy)phenyl]methylidene]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 66883719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).