[(1R)-1-[3-[2-[2-[2-[2-[3-[3-(3,4-dimethoxyphenyl)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbonyl]oxypropyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-3-(3-methoxy-4-methylphenyl)propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate

C68H92N2O16 — CID 142043684

About [(1R)-1-[3-[2-[2-[2-[2-[3-[3-(3,4-dimethoxyphenyl)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbonyl]oxypropyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-3-(3-methoxy-4-methylphenyl)propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate

[(1R)-1-[3-[2-[2-[2-[2-[3-[3-(3,4-dimethoxyphenyl)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbonyl]oxypropyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-3-(3-methoxy-4-methylphenyl)propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate (PubChem CID 142043684) has the molecular formula C68H92N2O16 and a molecular weight of 1193.48 g/mol. Its IUPAC name is [(1R)-1-[3-[2-[2-[2-[2-[3-[3-(3,4-dimethoxyphenyl)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbonyl]oxypropyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-3-(3-methoxy-4-methylphenyl)propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate.

Molecular Properties

• Compound Name: [(1R)-1-[3-[2-[2-[2-[2-[3-[3-(3,4-dimethoxyphenyl)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbonyl]oxypropyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-3-(3-methoxy-4-methylphenyl)propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
• PubChem CID: 142043684
• Molecular Formula: C68H92N2O16
• Molecular Weight: 1193.48 g/mol
• Exact Mass: 1192.64
• IUPAC Name: [(1R)-1-[3-[2-[2-[2-[2-[3-[3-(3,4-dimethoxyphenyl)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbonyl]oxypropyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-3-(3-methoxy-4-methylphenyl)propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
• SMILES: CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)O[C@H](CCc1ccc(C)c(OC)c1)c1cccc(OCCOCCOCCOCCOc2cccc(C(CCc3ccc(OC)c(OC)c3)OC(=O)[C@@H]3CCCCN3C(=O)C(=O)C(C)(C)CC)c2)c1
• InChI: InChI=1S/C68H92N2O16/c1-11-67(4,5)61(71)63(73)69-33-15-13-23-54(69)65(75)85-56(30-27-48-26-25-47(3)59(43-48)78-9)50-19-17-21-52(45-50)83-41-39-81-37-35-80-36-38-82-40-42-84-53-22-18-20-51(46-53)57(31-28-49-29-32-58(77-8)60(44-49)79-10)86-66(76)55-24-14-16-34-70(55)64(74)62(72)68(6,7)12-2/h17-22,25-26,29,32,43-46,54-57H,11-16,23-24,27-28,30-31,33-42H2,1-10H3/t54?,55-,56+,57?/m0/s1
• InChIKey: DAMHEWPGXNIOST-PXBRHMLDSA-N
• XLogP: 10.74
• TPSA: 201.20 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 35
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1193.48
LogP ≤ 5	10.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[3-[2-[2-[2-[2-[3-[3-(3,4-dimethoxyphenyl)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbonyl]oxypropyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-3-(3-methoxy-4-methylphenyl)propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate?

The IUPAC name of [(1R)-1-[3-[2-[2-[2-[2-[3-[3-(3,4-dimethoxyphenyl)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbonyl]oxypropyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-3-(3-methoxy-4-methylphenyl)propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate (CID 142043684) is [(1R)-1-[3-[2-[2-[2-[2-[3-[3-(3,4-dimethoxyphenyl)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbonyl]oxypropyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-3-(3-methoxy-4-methylphenyl)propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate.

What is the SMILES notation for [(1R)-1-[3-[2-[2-[2-[2-[3-[3-(3,4-dimethoxyphenyl)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbonyl]oxypropyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-3-(3-methoxy-4-methylphenyl)propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate?

The canonical SMILES for [(1R)-1-[3-[2-[2-[2-[2-[3-[3-(3,4-dimethoxyphenyl)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbonyl]oxypropyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-3-(3-methoxy-4-methylphenyl)propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate is CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)O[C@H](CCc1ccc(C)c(OC)c1)c1cccc(OCCOCCOCCOCCOc2cccc(C(CCc3ccc(OC)c(OC)c3)OC(=O)[C@@H]3CCCCN3C(=O)C(=O)C(C)(C)CC)c2)c1.

What is the InChIKey of [(1R)-1-[3-[2-[2-[2-[2-[3-[3-(3,4-dimethoxyphenyl)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbonyl]oxypropyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-3-(3-methoxy-4-methylphenyl)propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate?

The InChIKey is DAMHEWPGXNIOST-PXBRHMLDSA-N. The full InChI is InChI=1S/C68H92N2O16/c1-11-67(4,5)61(71)63(73)69-33-15-13-23-54(69)65(75)85-56(30-27-48-26-25-47(3)59(43-48)78-9)50-19-17-21-52(45-50)83-41-39-81-37-35-80-36-38-82-40-42-84-53-22-18-20-51(46-53)57(31-28-49-29-32-58(77-8)60(44-49)79-10)86-66(76)55-24-14-16-34-70(55)64(74)62(72)68(6,7)12-2/h17-22,25-26,29,32,43-46,54-57H,11-16,23-24,27-28,30-31,33-42H2,1-10H3/t54?,55-,56+,57?/m0/s1.

What are the key properties of [(1R)-1-[3-[2-[2-[2-[2-[3-[3-(3,4-dimethoxyphenyl)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbonyl]oxypropyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-3-(3-methoxy-4-methylphenyl)propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate?

[(1R)-1-[3-[2-[2-[2-[2-[3-[3-(3,4-dimethoxyphenyl)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbonyl]oxypropyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-3-(3-methoxy-4-methylphenyl)propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate has a molecular weight of 1193.48 g/mol, XLogP of 10.74, 35 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R)-1-[3-[2-[2-[2-[2-[3-[3-(3,4-dimethoxyphenyl)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbonyl]oxypropyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-3-(3-methoxy-4-methylphenyl)propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate is sourced from PubChem (CID 142043684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).