1-[5-(4-fluorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one

C28H30F2N2O2 — CID 58190168

IUPAC1-[5-(4-fluorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one
SMILESO=C(CCc1cc(F)cc(OCCN2CCCCC2)c1)Cc1ccc(-c2ccc(F)cc2)cn1
InChIInChI=1S/C28H30F2N2O2/c29-24-8-5-22(6-9-24)23-7-10-26(31-20-23)19-27(33)11-4-21-16-25(30)18-28(17-21)34-15-14-32-12-2-1-3-13-32/h5-10,16-18,20H,1-4,11-15,19H2
InChIKeyNLHIYFPEUHURDG-UHFFFAOYSA-N
MW464.56 g/mol
LogP5.64
Rot. Bonds10

About 1-[5-(4-fluorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one

1-[5-(4-fluorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one (PubChem CID 58190168) has the molecular formula C28H30F2N2O2 and a molecular weight of 464.56 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one
PubChem CID58190168
Molecular FormulaC28H30F2N2O2
Molecular Weight464.56 g/mol
Exact Mass464.23
IUPAC Name1-[5-(4-fluorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one
SMILESO=C(CCc1cc(F)cc(OCCN2CCCCC2)c1)Cc1ccc(-c2ccc(F)cc2)cn1
InChIInChI=1S/C28H30F2N2O2/c29-24-8-5-22(6-9-24)23-7-10-26(31-20-23)19-27(33)11-4-21-16-25(30)18-28(17-21)34-15-14-32-12-2-1-3-13-32/h5-10,16-18,20H,1-4,11-15,19H2
InChIKeyNLHIYFPEUHURDG-UHFFFAOYSA-N
XLogP5.64
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.56
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[5-(4-fluorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one with MolForge

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Related Compounds

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CID 145955958
Aminopyridine N-oxide, 58
CID 24746456
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N-benzyl-2-[5-[4-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethoxy]phenyl]-2-pyridinyl]acetamide
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CID 166635524
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CID 10386162
N-[(3-fluorophenyl)methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide
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ethyl 1-(methylnitroso)-3-phenyl-6-(pyridin-2-ylmethoxy)-1H-indene-2-carboxylate
CID 11690159
1-[4-[3-[4-[(4-Fluorophenyl)-pyridin-2-ylmethyl]piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one?
The IUPAC name of 1-[5-(4-fluorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one (CID 58190168) is 1-[5-(4-fluorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one.
What is the SMILES notation for 1-[5-(4-fluorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one?
The canonical SMILES for 1-[5-(4-fluorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one is O=C(CCc1cc(F)cc(OCCN2CCCCC2)c1)Cc1ccc(-c2ccc(F)cc2)cn1.
What is the InChIKey of 1-[5-(4-fluorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one?
The InChIKey is NLHIYFPEUHURDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F2N2O2/c29-24-8-5-22(6-9-24)23-7-10-26(31-20-23)19-27(33)11-4-21-16-25(30)18-28(17-21)34-15-14-32-12-2-1-3-13-32/h5-10,16-18,20H,1-4,11-15,19H2.
What are the key properties of 1-[5-(4-fluorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one?
1-[5-(4-fluorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one has a molecular weight of 464.56 g/mol, XLogP of 5.64, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one is sourced from PubChem (CID 58190168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).