3-[2-[2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]-1,3-oxazolidin-2-one

C35H44N2O7 — CID 59457187

IUPAC3-[2-[2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]-1,3-oxazolidin-2-one
SMILESCOc1ccccc1COCCCOc1ccc([C@H]2CCNC[C@@H]2OCCOc2ccccc2CCN2CCOC2=O)cc1
InChIInChI=1S/C35H44N2O7/c1-39-32-9-4-3-8-29(32)26-40-20-6-21-41-30-13-11-27(12-14-30)31-15-17-36-25-34(31)43-24-23-42-33-10-5-2-7-28(33)16-18-37-19-22-44-35(37)38/h2-5,7-14,31,34,36H,6,15-26H2,1H3/t31-,34+/m1/s1
InChIKeyOLQJLJQRVUOTLA-FJQKOURKSA-N
MW604.74 g/mol
LogP5.22
Rot. Bonds17

About 3-[2-[2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]-1,3-oxazolidin-2-one

3-[2-[2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]-1,3-oxazolidin-2-one (PubChem CID 59457187) has the molecular formula C35H44N2O7 and a molecular weight of 604.74 g/mol. Its IUPAC name is 3-[2-[2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]-1,3-oxazolidin-2-one
PubChem CID59457187
Molecular FormulaC35H44N2O7
Molecular Weight604.74 g/mol
Exact Mass604.31
IUPAC Name3-[2-[2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]-1,3-oxazolidin-2-one
SMILESCOc1ccccc1COCCCOc1ccc([C@H]2CCNC[C@@H]2OCCOc2ccccc2CCN2CCOC2=O)cc1
InChIInChI=1S/C35H44N2O7/c1-39-32-9-4-3-8-29(32)26-40-20-6-21-41-30-13-11-27(12-14-30)31-15-17-36-25-34(31)43-24-23-42-33-10-5-2-7-28(33)16-18-37-19-22-44-35(37)38/h2-5,7-14,31,34,36H,6,15-26H2,1H3/t31-,34+/m1/s1
InChIKeyOLQJLJQRVUOTLA-FJQKOURKSA-N
XLogP5.22
TPSA87.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.74
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-[2-[2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]-1,3-oxazolidin-2-one (CID 59457187) is 3-[2-[2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]-1,3-oxazolidin-2-one is COc1ccccc1COCCCOc1ccc([C@H]2CCNC[C@@H]2OCCOc2ccccc2CCN2CCOC2=O)cc1.
What is the InChIKey of 3-[2-[2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is OLQJLJQRVUOTLA-FJQKOURKSA-N. The full InChI is InChI=1S/C35H44N2O7/c1-39-32-9-4-3-8-29(32)26-40-20-6-21-41-30-13-11-27(12-14-30)31-15-17-36-25-34(31)43-24-23-42-33-10-5-2-7-28(33)16-18-37-19-22-44-35(37)38/h2-5,7-14,31,34,36H,6,15-26H2,1H3/t31-,34+/m1/s1.
What are the key properties of 3-[2-[2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]-1,3-oxazolidin-2-one?
3-[2-[2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 604.74 g/mol, XLogP of 5.22, 17 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxyethoxy]phenyl]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 59457187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).