3-(6-cyclohexyl-1-methylindazol-3-yl)piperidine-2,6-dione;ethyl 4-methylpiperidine-1-carboxylate

C28H40N4O4 — CID 178161203

About 3-(6-cyclohexyl-1-methylindazol-3-yl)piperidine-2,6-dione;ethyl 4-methylpiperidine-1-carboxylate

3-(6-cyclohexyl-1-methylindazol-3-yl)piperidine-2,6-dione;ethyl 4-methylpiperidine-1-carboxylate (PubChem CID 178161203) has the molecular formula C28H40N4O4 and a molecular weight of 496.65 g/mol. Its IUPAC name is 3-(6-cyclohexyl-1-methylindazol-3-yl)piperidine-2,6-dione;ethyl 4-methylpiperidine-1-carboxylate.

Molecular Properties

• Compound Name: 3-(6-cyclohexyl-1-methylindazol-3-yl)piperidine-2,6-dione;ethyl 4-methylpiperidine-1-carboxylate
• PubChem CID: 178161203
• Molecular Formula: C28H40N4O4
• Molecular Weight: 496.65 g/mol
• Exact Mass: 496.30
• IUPAC Name: 3-(6-cyclohexyl-1-methylindazol-3-yl)piperidine-2,6-dione;ethyl 4-methylpiperidine-1-carboxylate
• SMILES: CCOC(=O)N1CCC(C)CC1.Cn1nc(C2CCC(=O)NC2=O)c2ccc(C3CCCCC3)cc21
• InChI: InChI=1S/C19H23N3O2.C9H17NO2/c1-22-16-11-13(12-5-3-2-4-6-12)7-8-14(16)18(21-22)15-9-10-17(23)20-19(15)24;1-3-12-9(11)10-6-4-8(2)5-7-10/h7-8,11-12,15H,2-6,9-10H2,1H3,(H,20,23,24);8H,3-7H2,1-2H3
• InChIKey: BSQBTOUSHJQUSC-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 93.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.65
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(6-cyclohexyl-1-methylindazol-3-yl)piperidine-2,6-dione;ethyl 4-methylpiperidine-1-carboxylate?

The IUPAC name of 3-(6-cyclohexyl-1-methylindazol-3-yl)piperidine-2,6-dione;ethyl 4-methylpiperidine-1-carboxylate (CID 178161203) is 3-(6-cyclohexyl-1-methylindazol-3-yl)piperidine-2,6-dione;ethyl 4-methylpiperidine-1-carboxylate.

What is the SMILES notation for 3-(6-cyclohexyl-1-methylindazol-3-yl)piperidine-2,6-dione;ethyl 4-methylpiperidine-1-carboxylate?

The canonical SMILES for 3-(6-cyclohexyl-1-methylindazol-3-yl)piperidine-2,6-dione;ethyl 4-methylpiperidine-1-carboxylate is CCOC(=O)N1CCC(C)CC1.Cn1nc(C2CCC(=O)NC2=O)c2ccc(C3CCCCC3)cc21.

What is the InChIKey of 3-(6-cyclohexyl-1-methylindazol-3-yl)piperidine-2,6-dione;ethyl 4-methylpiperidine-1-carboxylate?

The InChIKey is BSQBTOUSHJQUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2.C9H17NO2/c1-22-16-11-13(12-5-3-2-4-6-12)7-8-14(16)18(21-22)15-9-10-17(23)20-19(15)24;1-3-12-9(11)10-6-4-8(2)5-7-10/h7-8,11-12,15H,2-6,9-10H2,1H3,(H,20,23,24);8H,3-7H2,1-2H3.

What are the key properties of 3-(6-cyclohexyl-1-methylindazol-3-yl)piperidine-2,6-dione;ethyl 4-methylpiperidine-1-carboxylate?

3-(6-cyclohexyl-1-methylindazol-3-yl)piperidine-2,6-dione;ethyl 4-methylpiperidine-1-carboxylate has a molecular weight of 496.65 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6-cyclohexyl-1-methylindazol-3-yl)piperidine-2,6-dione;ethyl 4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 178161203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).