N-[6-[formyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)formamide

C32H62N4O4 — CID 23450615

About N-[6-[formyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)formamide

N-[6-[formyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)formamide (PubChem CID 23450615) has the molecular formula C32H62N4O4 and a molecular weight of 566.87 g/mol. Its IUPAC name is N-[6-[formyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)formamide.

Molecular Properties

• Compound Name: N-[6-[formyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)formamide
• PubChem CID: 23450615
• Molecular Formula: C32H62N4O4
• Molecular Weight: 566.87 g/mol
• Exact Mass: 566.48
• IUPAC Name: N-[6-[formyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)formamide
• SMILES: CCCON1C(C)(C)CC(N(C=O)CCCCCCN(C=O)C2CC(C)(C)N(OCCC)C(C)(C)C2)CC1(C)C
• InChI: InChI=1S/C32H62N4O4/c1-11-19-39-35-29(3,4)21-27(22-30(35,5)6)33(25-37)17-15-13-14-16-18-34(26-38)28-23-31(7,8)36(40-20-12-2)32(9,10)24-28/h25-28H,11-24H2,1-10H3
• InChIKey: RHNAGBDIJJAGIP-UHFFFAOYSA-N
• XLogP: 6.19
• TPSA: 65.56 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 17
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.87
LogP ≤ 5	6.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-[formyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)formamide?

The IUPAC name of N-[6-[formyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)formamide (CID 23450615) is N-[6-[formyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)formamide.

What is the SMILES notation for N-[6-[formyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)formamide?

The canonical SMILES for N-[6-[formyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)formamide is CCCON1C(C)(C)CC(N(C=O)CCCCCCN(C=O)C2CC(C)(C)N(OCCC)C(C)(C)C2)CC1(C)C.

What is the InChIKey of N-[6-[formyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)formamide?

The InChIKey is RHNAGBDIJJAGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H62N4O4/c1-11-19-39-35-29(3,4)21-27(22-30(35,5)6)33(25-37)17-15-13-14-16-18-34(26-38)28-23-31(7,8)36(40-20-12-2)32(9,10)24-28/h25-28H,11-24H2,1-10H3.

What are the key properties of N-[6-[formyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)formamide?

N-[6-[formyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)formamide has a molecular weight of 566.87 g/mol, XLogP of 6.19, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[formyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)formamide is sourced from PubChem (CID 23450615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).