propyl 3-[6-[(3-oxo-3-propoxypropyl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propanoate

C36H70N4O4 — CID 19704404

About propyl 3-[6-[(3-oxo-3-propoxypropyl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propanoate

propyl 3-[6-[(3-oxo-3-propoxypropyl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propanoate (PubChem CID 19704404) has the molecular formula C36H70N4O4 and a molecular weight of 622.98 g/mol. Its IUPAC name is propyl 3-[6-[(3-oxo-3-propoxypropyl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propanoate.

Molecular Properties

• Compound Name: propyl 3-[6-[(3-oxo-3-propoxypropyl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propanoate
• PubChem CID: 19704404
• Molecular Formula: C36H70N4O4
• Molecular Weight: 622.98 g/mol
• Exact Mass: 622.54
• IUPAC Name: propyl 3-[6-[(3-oxo-3-propoxypropyl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propanoate
• SMILES: CCCOC(=O)CCN(CCCCCCN(CCC(=O)OCCC)C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1
• InChI: InChI=1S/C36H70N4O4/c1-11-23-43-31(41)17-21-39(29-25-33(3,4)37-34(5,6)26-29)19-15-13-14-16-20-40(22-18-32(42)44-24-12-2)30-27-35(7,8)38-36(9,10)28-30/h29-30,37-38H,11-28H2,1-10H3
• InChIKey: HNIYHLSKPARSPB-UHFFFAOYSA-N
• XLogP: 6.46
• TPSA: 83.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 19
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	622.98
LogP ≤ 5	6.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of propyl 3-[6-[(3-oxo-3-propoxypropyl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propanoate?

The IUPAC name of propyl 3-[6-[(3-oxo-3-propoxypropyl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propanoate (CID 19704404) is propyl 3-[6-[(3-oxo-3-propoxypropyl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propanoate.

What is the SMILES notation for propyl 3-[6-[(3-oxo-3-propoxypropyl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propanoate?

The canonical SMILES for propyl 3-[6-[(3-oxo-3-propoxypropyl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propanoate is CCCOC(=O)CCN(CCCCCCN(CCC(=O)OCCC)C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1.

What is the InChIKey of propyl 3-[6-[(3-oxo-3-propoxypropyl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propanoate?

The InChIKey is HNIYHLSKPARSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H70N4O4/c1-11-23-43-31(41)17-21-39(29-25-33(3,4)37-34(5,6)26-29)19-15-13-14-16-20-40(22-18-32(42)44-24-12-2)30-27-35(7,8)38-36(9,10)28-30/h29-30,37-38H,11-28H2,1-10H3.

What are the key properties of propyl 3-[6-[(3-oxo-3-propoxypropyl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propanoate?

propyl 3-[6-[(3-oxo-3-propoxypropyl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propanoate has a molecular weight of 622.98 g/mol, XLogP of 6.46, 19 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for propyl 3-[6-[(3-oxo-3-propoxypropyl)-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propanoate is sourced from PubChem (CID 19704404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).