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-[3-fluoro-2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]carbamate;methyl N-[2-[5-fluoro-2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]carbamate

C102H129F3N6O21 — CID 161364391

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-[3-fluoro-2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]carbamate;methyl N-[2-[5-fluoro-2-[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;methyl N-[2-[3-fluoro-2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]carbamate;methyl N-[2-[5-fluoro-2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]carbamate (PubChem CID 161364391) has the molecular formula C102H129F3N6O21 and a molecular weight of 1832.17 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;methyl N-[2-[3-fluoro-2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]carbamate;methyl N-[2-[5-fluoro-2-[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;methyl N-[2-[3-fluoro-2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]carbamate;methyl N-[2-[5-fluoro-2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]carbamate
• PubChem CID: 161364391
• Molecular Formula: C102H129F3N6O21
• Molecular Weight: 1832.17 g/mol
• Exact Mass: 1830.92
• 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;methyl N-[2-[3-fluoro-2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]carbamate;methyl N-[2-[5-fluoro-2-[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.COC(=O)NCCc1cc(F)ccc1OCCO[C@H]1CNCC[C@@H]1c1ccc(OCCCOCc2ccccc2OC)cc1.COC(=O)NCCc1cccc(F)c1OCCO[C@H]1CNCC[C@@H]1c1ccc(OCCCOCc2ccccc2OC)cc1
• InChI: InChI=1S/3C34H43FN2O7/c1-39-31-10-4-3-7-27(31)24-41-19-6-20-42-28-13-11-25(12-14-28)29-16-17-36-23-32(29)43-21-22-44-33-26(8-5-9-30(33)35)15-18-37-34(38)40-2;1-39-31-9-4-3-7-26(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;1-39-31-7-4-3-6-27(31)24-41-18-5-19-42-29-11-8-25(9-12-29)30-15-16-36-23-33(30)44-21-20-43-32-13-10-28(35)22-26(32)14-17-37-34(38)40-2/h3-5,7-14,29,32,36H,6,15-24H2,1-2H3,(H,37,38);3-5,7-14,28,33,36H,6,15-24H2,1-2H3,(H,37,38);3-4,6-13,22,30,33,36H,5,14-21,23-24H2,1-2H3,(H,37,38)/t29-,32+;28-,33+;30-,33+/m111/s1
• InChIKey: VPPTWVYLNYOSPO-CCSVPGSNSA-N
• XLogP: 15.78
• TPSA: 289.53 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 51
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1832.17
LogP ≤ 5	15.78
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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;methyl N-[2-[3-fluoro-2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]carbamate;methyl N-[2-[5-fluoro-2-[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;methyl N-[2-[3-fluoro-2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]carbamate;methyl N-[2-[5-fluoro-2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]carbamate (CID 161364391) 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;methyl N-[2-[3-fluoro-2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]carbamate;methyl N-[2-[5-fluoro-2-[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;methyl N-[2-[3-fluoro-2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]carbamate;methyl N-[2-[5-fluoro-2-[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;methyl N-[2-[3-fluoro-2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]carbamate;methyl N-[2-[5-fluoro-2-[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.COC(=O)NCCc1cc(F)ccc1OCCO[C@H]1CNCC[C@@H]1c1ccc(OCCCOCc2ccccc2OC)cc1.COC(=O)NCCc1cccc(F)c1OCCO[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;methyl N-[2-[3-fluoro-2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]carbamate;methyl N-[2-[5-fluoro-2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]carbamate?

The InChIKey is VPPTWVYLNYOSPO-CCSVPGSNSA-N. The full InChI is InChI=1S/3C34H43FN2O7/c1-39-31-10-4-3-7-27(31)24-41-19-6-20-42-28-13-11-25(12-14-28)29-16-17-36-23-32(29)43-21-22-44-33-26(8-5-9-30(33)35)15-18-37-34(38)40-2;1-39-31-9-4-3-7-26(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;1-39-31-7-4-3-6-27(31)24-41-18-5-19-42-29-11-8-25(9-12-29)30-15-16-36-23-33(30)44-21-20-43-32-13-10-28(35)22-26(32)14-17-37-34(38)40-2/h3-5,7-14,29,32,36H,6,15-24H2,1-2H3,(H,37,38);3-5,7-14,28,33,36H,6,15-24H2,1-2H3,(H,37,38);3-4,6-13,22,30,33,36H,5,14-21,23-24H2,1-2H3,(H,37,38)/t29-,32+;28-,33+;30-,33+/m111/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-[3-fluoro-2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]carbamate;methyl N-[2-[5-fluoro-2-[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;methyl N-[2-[3-fluoro-2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]carbamate;methyl N-[2-[5-fluoro-2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]carbamate has a molecular weight of 1832.17 g/mol, XLogP of 15.78, 51 rotatable bonds, 6 hydrogen bond donors, and 24 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;methyl N-[2-[3-fluoro-2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]carbamate;methyl N-[2-[5-fluoro-2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]carbamate is sourced from PubChem (CID 161364391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).