N-[6-[(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)-formylamino]hexyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)formamide

C29H56N4O2 — CID 91497108

About N-[6-[(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)-formylamino]hexyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)formamide

N-[6-[(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)-formylamino]hexyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)formamide (PubChem CID 91497108) has the molecular formula C29H56N4O2 and a molecular weight of 492.79 g/mol. Its IUPAC name is N-[6-[(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)-formylamino]hexyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)formamide.

Molecular Properties

• Compound Name: N-[6-[(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)-formylamino]hexyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)formamide
• PubChem CID: 91497108
• Molecular Formula: C29H56N4O2
• Molecular Weight: 492.79 g/mol
• Exact Mass: 492.44
• IUPAC Name: N-[6-[(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)-formylamino]hexyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)formamide
• SMILES: CCN1C(C)(C)CC(N(C=O)CCCCCCN(C=O)C2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
• InChI: InChI=1S/C29H56N4O2/c1-11-33-28(6,7)20-25(21-29(33,8)9)32(23-35)17-15-13-12-14-16-31(22-34)24-18-26(2,3)30(10)27(4,5)19-24/h22-25H,11-21H2,1-10H3
• InChIKey: IVXHVTKYBKEEQG-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 47.10 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.79
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[6-[(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)-formylamino]hexyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)formamide?

The IUPAC name of N-[6-[(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)-formylamino]hexyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)formamide (CID 91497108) is N-[6-[(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)-formylamino]hexyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)formamide.

What is the SMILES notation for N-[6-[(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)-formylamino]hexyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)formamide?

The canonical SMILES for N-[6-[(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)-formylamino]hexyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)formamide is CCN1C(C)(C)CC(N(C=O)CCCCCCN(C=O)C2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C.

What is the InChIKey of N-[6-[(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)-formylamino]hexyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)formamide?

The InChIKey is IVXHVTKYBKEEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H56N4O2/c1-11-33-28(6,7)20-25(21-29(33,8)9)32(23-35)17-15-13-12-14-16-31(22-34)24-18-26(2,3)30(10)27(4,5)19-24/h22-25H,11-21H2,1-10H3.

What are the key properties of N-[6-[(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)-formylamino]hexyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)formamide?

N-[6-[(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)-formylamino]hexyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)formamide has a molecular weight of 492.79 g/mol, XLogP of 5.16, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)-formylamino]hexyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)formamide is sourced from PubChem (CID 91497108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).