methyl N-[2-[2-fluoro-6-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]carbamate

C34H43FN2O7 — CID 59457145

About methyl N-[2-[2-fluoro-6-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]carbamate

methyl N-[2-[2-fluoro-6-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]carbamate (PubChem CID 59457145) has the molecular formula C34H43FN2O7 and a molecular weight of 610.72 g/mol. Its IUPAC name is methyl N-[2-[2-fluoro-6-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]carbamate.

Molecular Properties

• Compound Name: methyl N-[2-[2-fluoro-6-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]carbamate
• PubChem CID: 59457145
• Molecular Formula: C34H43FN2O7
• Molecular Weight: 610.72 g/mol
• Exact Mass: 610.31
• IUPAC Name: methyl N-[2-[2-fluoro-6-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]carbamate
• SMILES: COC(=O)NCCc1c(F)cccc1OCCO[C@H]1CNCC[C@@H]1c1ccc(OCCCOCc2ccccc2OC)cc1
• InChI: InChI=1S/C34H43FN2O7/c1-39-31-9-4-3-7-26(31)24-41-19-6-20-42-27-13-11-25(12-14-27)28-15-17-36-23-33(28)44-22-21-43-32-10-5-8-30(35)29(32)16-18-37-34(38)40-2/h3-5,7-14,28,33,36H,6,15-24H2,1-2H3,(H,37,38)/t28-,33+/m1/s1
• InChIKey: WZJVHELMNDEUCA-YDYNHKSESA-N
• XLogP: 5.26
• TPSA: 96.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 17
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.72
LogP ≤ 5	5.26
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 methyl N-[2-[2-fluoro-6-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]carbamate?

The IUPAC name of methyl N-[2-[2-fluoro-6-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]carbamate (CID 59457145) is methyl N-[2-[2-fluoro-6-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]carbamate.

What is the SMILES notation for methyl N-[2-[2-fluoro-6-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]carbamate?

The canonical SMILES for methyl N-[2-[2-fluoro-6-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]carbamate is COC(=O)NCCc1c(F)cccc1OCCO[C@H]1CNCC[C@@H]1c1ccc(OCCCOCc2ccccc2OC)cc1.

What is the InChIKey of methyl N-[2-[2-fluoro-6-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]carbamate?

The InChIKey is WZJVHELMNDEUCA-YDYNHKSESA-N. The full InChI is InChI=1S/C34H43FN2O7/c1-39-31-9-4-3-7-26(31)24-41-19-6-20-42-27-13-11-25(12-14-27)28-15-17-36-23-33(28)44-22-21-43-32-10-5-8-30(35)29(32)16-18-37-34(38)40-2/h3-5,7-14,28,33,36H,6,15-24H2,1-2H3,(H,37,38)/t28-,33+/m1/s1.

What are the key properties of methyl N-[2-[2-fluoro-6-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]carbamate?

methyl N-[2-[2-fluoro-6-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]carbamate has a molecular weight of 610.72 g/mol, XLogP of 5.26, 17 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[2-[2-fluoro-6-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]carbamate is sourced from PubChem (CID 59457145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).