2-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-N-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]acetamide

C33H42N8O4 — CID 159121956

About 2-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-N-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]acetamide

2-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-N-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]acetamide (PubChem CID 159121956) has the molecular formula C33H42N8O4 and a molecular weight of 614.75 g/mol. Its IUPAC name is 2-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-N-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-N-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]acetamide
• PubChem CID: 159121956
• Molecular Formula: C33H42N8O4
• Molecular Weight: 614.75 g/mol
• Exact Mass: 614.33
• IUPAC Name: 2-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-N-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]acetamide
• SMILES: CN(C)C1CCN(C(=O)c2ccc(CC(=O)Nc3ccc(-c4nc(N5CCOCC5)nc(N5CCOCC5)n4)cc3)cc2)CC1
• InChI: InChI=1S/C33H42N8O4/c1-38(2)28-11-13-39(14-12-28)31(43)26-5-3-24(4-6-26)23-29(42)34-27-9-7-25(8-10-27)30-35-32(40-15-19-44-20-16-40)37-33(36-30)41-17-21-45-22-18-41/h3-10,28H,11-23H2,1-2H3,(H,34,42)
• InChIKey: OZYHYCPEWUNZLW-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 116.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	614.75
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-N-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]acetamide?

The IUPAC name of 2-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-N-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]acetamide (CID 159121956) is 2-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-N-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]acetamide.

What is the SMILES notation for 2-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-N-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]acetamide?

The canonical SMILES for 2-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-N-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]acetamide is CN(C)C1CCN(C(=O)c2ccc(CC(=O)Nc3ccc(-c4nc(N5CCOCC5)nc(N5CCOCC5)n4)cc3)cc2)CC1.

What is the InChIKey of 2-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-N-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]acetamide?

The InChIKey is OZYHYCPEWUNZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42N8O4/c1-38(2)28-11-13-39(14-12-28)31(43)26-5-3-24(4-6-26)23-29(42)34-27-9-7-25(8-10-27)30-35-32(40-15-19-44-20-16-40)37-33(36-30)41-17-21-45-22-18-41/h3-10,28H,11-23H2,1-2H3,(H,34,42).

What are the key properties of 2-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-N-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]acetamide?

2-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-N-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]acetamide has a molecular weight of 614.75 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-N-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]acetamide is sourced from PubChem (CID 159121956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).