ethyl 3-[3,5-difluoro-4-[(2-piperidin-1-ylphenyl)methoxy]phenyl]propanoate

C23H27F2NO3 — CID 23136526

IUPACethyl 3-[3,5-difluoro-4-[(2-piperidin-1-ylphenyl)methoxy]phenyl]propanoate
SMILESCCOC(=O)CCc1cc(F)c(OCc2ccccc2N2CCCCC2)c(F)c1
InChIInChI=1S/C23H27F2NO3/c1-2-28-22(27)11-10-17-14-19(24)23(20(25)15-17)29-16-18-8-4-5-9-21(18)26-12-6-3-7-13-26/h4-5,8-9,14-15H,2-3,6-7,10-13,16H2,1H3
InChIKeyAUGDCMDHXOGGAF-UHFFFAOYSA-N
MW403.47 g/mol
LogP5.03
Rot. Bonds8

About ethyl 3-[3,5-difluoro-4-[(2-piperidin-1-ylphenyl)methoxy]phenyl]propanoate

ethyl 3-[3,5-difluoro-4-[(2-piperidin-1-ylphenyl)methoxy]phenyl]propanoate (PubChem CID 23136526) has the molecular formula C23H27F2NO3 and a molecular weight of 403.47 g/mol. Its IUPAC name is ethyl 3-[3,5-difluoro-4-[(2-piperidin-1-ylphenyl)methoxy]phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[3,5-difluoro-4-[(2-piperidin-1-ylphenyl)methoxy]phenyl]propanoate
PubChem CID23136526
Molecular FormulaC23H27F2NO3
Molecular Weight403.47 g/mol
Exact Mass403.20
IUPAC Nameethyl 3-[3,5-difluoro-4-[(2-piperidin-1-ylphenyl)methoxy]phenyl]propanoate
SMILESCCOC(=O)CCc1cc(F)c(OCc2ccccc2N2CCCCC2)c(F)c1
InChIInChI=1S/C23H27F2NO3/c1-2-28-22(27)11-10-17-14-19(24)23(20(25)15-17)29-16-18-8-4-5-9-21(18)26-12-6-3-7-13-26/h4-5,8-9,14-15H,2-3,6-7,10-13,16H2,1H3
InChIKeyAUGDCMDHXOGGAF-UHFFFAOYSA-N
XLogP5.03
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.47
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 3-[3,5-difluoro-4-[(2-piperidin-1-ylphenyl)methoxy]phenyl]propanoate with MolForge

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Related Compounds

ethyl 3-[3,5-difluoro-4-[[3-(2-methylpropoxy)phenyl]methoxy]phenyl]propanoate
CID 23136278
ethyl 3-[4-(azepan-1-yl)phenyl]propanoate
CID 59859896
ethyl 3-[4-[[2-(4-ethylphenyl)thiophen-3-yl]methoxy]-3,5-difluorophenyl]propanoate
CID 90418449
ethyl 3-[4-[[3-(4-chlorophenoxy)phenyl]methoxy]-3,5-difluorophenyl]propanoate
CID 23136377
ethyl 2-[(2-pyrrolidin-1-ylphenyl)methylamino]acetate
CID 54921193
ethyl 3-[4-[(1-benzyl-3,4-dihydro-2H-quinolin-5-yl)methoxy]-2-fluorophenyl]propanoate
CID 59368702
ethyl 3-[4-[[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]-3,5-difluorophenyl]propanoate
CID 90405892
ethyl 3-[4-[[3-(4-chlorophenyl)-5-fluorothiophen-2-yl]methoxy]-3,5-difluorophenyl]propanoate
CID 90418275
ethyl 2-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)acetate
CID 178032262
ethyl 3-[3,5-difluoro-4-[(2-propan-2-ylsulfanylpyrimidin-4-yl)methoxy]phenyl]propanoate
CID 90118452
ethyl 3-(3,5-difluorophenyl)propanoate
CID 15209345
4-[3,5-difluoro-4-[(2-propan-2-yloxyphenyl)methoxy]phenyl]butan-2-one
CID 59760145

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3,5-difluoro-4-[(2-piperidin-1-ylphenyl)methoxy]phenyl]propanoate?
The IUPAC name of ethyl 3-[3,5-difluoro-4-[(2-piperidin-1-ylphenyl)methoxy]phenyl]propanoate (CID 23136526) is ethyl 3-[3,5-difluoro-4-[(2-piperidin-1-ylphenyl)methoxy]phenyl]propanoate.
What is the SMILES notation for ethyl 3-[3,5-difluoro-4-[(2-piperidin-1-ylphenyl)methoxy]phenyl]propanoate?
The canonical SMILES for ethyl 3-[3,5-difluoro-4-[(2-piperidin-1-ylphenyl)methoxy]phenyl]propanoate is CCOC(=O)CCc1cc(F)c(OCc2ccccc2N2CCCCC2)c(F)c1.
What is the InChIKey of ethyl 3-[3,5-difluoro-4-[(2-piperidin-1-ylphenyl)methoxy]phenyl]propanoate?
The InChIKey is AUGDCMDHXOGGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2NO3/c1-2-28-22(27)11-10-17-14-19(24)23(20(25)15-17)29-16-18-8-4-5-9-21(18)26-12-6-3-7-13-26/h4-5,8-9,14-15H,2-3,6-7,10-13,16H2,1H3.
What are the key properties of ethyl 3-[3,5-difluoro-4-[(2-piperidin-1-ylphenyl)methoxy]phenyl]propanoate?
ethyl 3-[3,5-difluoro-4-[(2-piperidin-1-ylphenyl)methoxy]phenyl]propanoate has a molecular weight of 403.47 g/mol, XLogP of 5.03, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3,5-difluoro-4-[(2-piperidin-1-ylphenyl)methoxy]phenyl]propanoate is sourced from PubChem (CID 23136526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).