4-(2-methyl-3,5-dioxo-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

C30H35N5O3 — CID 4272111

About 4-(2-methyl-3,5-dioxo-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

4-(2-methyl-3,5-dioxo-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (PubChem CID 4272111) has the molecular formula C30H35N5O3 and a molecular weight of 513.64 g/mol. Its IUPAC name is 4-(2-methyl-3,5-dioxo-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.

Molecular Properties

• Compound Name: 4-(2-methyl-3,5-dioxo-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
• PubChem CID: 4272111
• Molecular Formula: C30H35N5O3
• Molecular Weight: 513.64 g/mol
• Exact Mass: 513.27
• IUPAC Name: 4-(2-methyl-3,5-dioxo-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
• SMILES: CC1(C)CC(NC(=O)c2ccc(N3C(=O)N4CCc5c([nH]c6ccccc56)C4(C)C3=O)cc2)CC(C)(C)N1
• InChI: InChI=1S/C30H35N5O3/c1-28(2)16-19(17-29(3,4)33-28)31-25(36)18-10-12-20(13-11-18)35-26(37)30(5)24-22(14-15-34(30)27(35)38)21-8-6-7-9-23(21)32-24/h6-13,19,32-33H,14-17H2,1-5H3,(H,31,36)
• InChIKey: QBWORKFPQNFUED-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 97.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.64
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-3,5-dioxo-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?

The IUPAC name of 4-(2-methyl-3,5-dioxo-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (CID 4272111) is 4-(2-methyl-3,5-dioxo-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.

What is the SMILES notation for 4-(2-methyl-3,5-dioxo-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?

The canonical SMILES for 4-(2-methyl-3,5-dioxo-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is CC1(C)CC(NC(=O)c2ccc(N3C(=O)N4CCc5c([nH]c6ccccc56)C4(C)C3=O)cc2)CC(C)(C)N1.

What is the InChIKey of 4-(2-methyl-3,5-dioxo-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?

The InChIKey is QBWORKFPQNFUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O3/c1-28(2)16-19(17-29(3,4)33-28)31-25(36)18-10-12-20(13-11-18)35-26(37)30(5)24-22(14-15-34(30)27(35)38)21-8-6-7-9-23(21)32-24/h6-13,19,32-33H,14-17H2,1-5H3,(H,31,36).

What are the key properties of 4-(2-methyl-3,5-dioxo-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?

4-(2-methyl-3,5-dioxo-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide has a molecular weight of 513.64 g/mol, XLogP of 4.45, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-methyl-3,5-dioxo-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is sourced from PubChem (CID 4272111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).