3-(2-fluorophenyl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one

C20H23FN2O2 — CID 70712461

IUPAC3-(2-fluorophenyl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1F)N1CCCC(OCc2cccnc2)C1
InChIInChI=1S/C20H23FN2O2/c21-19-8-2-1-6-17(19)9-10-20(24)23-12-4-7-18(14-23)25-15-16-5-3-11-22-13-16/h1-3,5-6,8,11,13,18H,4,7,9-10,12,14-15H2
InChIKeyOYKYBYZUGQYCRS-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.36
Rot. Bonds6

About 3-(2-fluorophenyl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one

3-(2-fluorophenyl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one (PubChem CID 70712461) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one
PubChem CID70712461
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name3-(2-fluorophenyl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1F)N1CCCC(OCc2cccnc2)C1
InChIInChI=1S/C20H23FN2O2/c21-19-8-2-1-6-17(19)9-10-20(24)23-12-4-7-18(14-23)25-15-16-5-3-11-22-13-16/h1-3,5-6,8,11,13,18H,4,7,9-10,12,14-15H2
InChIKeyOYKYBYZUGQYCRS-UHFFFAOYSA-N
XLogP3.36
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Acetic acid phenethylcarbamoyl-pyridin-3-yl-methyl ester
CID 646182
[3-[(2-Chloro-3-pyridinyl)-(4-fluorophenyl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone
CID 57398702
[2-[3-Oxo-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propyl]phenyl]boronic acid
CID 137648814
1-(4-(2,4-Difluorophenyl)piperazin-1-yl)-2-(pyridin-4-ylmethoxy)ethanone
CID 24763283
2-(4-cyano-3-fluorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide
CID 162379720
N-benzyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 162379727
Preparation of 2-[4-(Difluoromethyl)-3-Fluoro-Phenyl]-N-[(2S)-2-Hydroxy-2-(3-Pyridyl)Ethyl]-N-Propyl-Acetamide
CID 162379770
N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 162379778
2-(3,4-difluorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propylacetamide
CID 162379815
2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide
CID 162379824
(2-Fluoro-phenyl)-(4'-hydroxy-3',4',5',6'-tetrahydro-2'H-[3,4']bipyridinyl-1'-yl)-methanone
CID 645240
(2,6-Difluoro-phenyl)-(4'-hydroxy-3',4',5',6'-tetrahydro-2'H-[3,4']bipyridinyl-1'-yl)-methanone
CID 650334

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(2-fluorophenyl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one (CID 70712461) is 3-(2-fluorophenyl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-fluorophenyl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-fluorophenyl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one is O=C(CCc1ccccc1F)N1CCCC(OCc2cccnc2)C1.
What is the InChIKey of 3-(2-fluorophenyl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one?
The InChIKey is OYKYBYZUGQYCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c21-19-8-2-1-6-17(19)9-10-20(24)23-12-4-7-18(14-23)25-15-16-5-3-11-22-13-16/h1-3,5-6,8,11,13,18H,4,7,9-10,12,14-15H2.
What are the key properties of 3-(2-fluorophenyl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one?
3-(2-fluorophenyl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one has a molecular weight of 342.41 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 70712461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).