[4-[[2-(5-fluoro-3-pyridinyl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone

C24H23FN2O2 — CID 172632477

IUPAC[4-[[2-(5-fluoro-3-pyridinyl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(COc2ccccc2-c2cncc(F)c2)cc1)N1CCCCC1
InChIInChI=1S/C24H23FN2O2/c25-21-14-20(15-26-16-21)22-6-2-3-7-23(22)29-17-18-8-10-19(11-9-18)24(28)27-12-4-1-5-13-27/h2-3,6-11,14-16H,1,4-5,12-13,17H2
InChIKeyLROSLXPSDXFFIJ-UHFFFAOYSA-N
MW390.46 g/mol
LogP5.09
Rot. Bonds5

About [4-[[2-(5-fluoro-3-pyridinyl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone

[4-[[2-(5-fluoro-3-pyridinyl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone (PubChem CID 172632477) has the molecular formula C24H23FN2O2 and a molecular weight of 390.46 g/mol. Its IUPAC name is [4-[[2-(5-fluoro-3-pyridinyl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[[2-(5-fluoro-3-pyridinyl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone
PubChem CID172632477
Molecular FormulaC24H23FN2O2
Molecular Weight390.46 g/mol
Exact Mass390.17
IUPAC Name[4-[[2-(5-fluoro-3-pyridinyl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(COc2ccccc2-c2cncc(F)c2)cc1)N1CCCCC1
InChIInChI=1S/C24H23FN2O2/c25-21-14-20(15-26-16-21)22-6-2-3-7-23(22)29-17-18-8-10-19(11-9-18)24(28)27-12-4-1-5-13-27/h2-3,6-11,14-16H,1,4-5,12-13,17H2
InChIKeyLROSLXPSDXFFIJ-UHFFFAOYSA-N
XLogP5.09
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.46
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-[2-(4-fluorophenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396290
4-fluoro-3-[2-(4-methoxyphenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396291
4-fluoro-3-[2-(4-methylphenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396292
2-(benzyloxy)-5-(2-fluoropyridin-4-yl)-N-(pyridin-3-yl)benzamide
CID 68107965
N-[(3-methoxyphenyl)methyl]-5H-[1]benzopyrano[3,4-c]pyridine-8-carboxamide
CID 121363591
N-(1-((2,6-diethoxy-4''-fluorobiphenyl-4-yl)methyl)piperidin-4-yl)-5-methylnicotinamide
CID 46911015
ROCK inhibitor-2
CID 51003130
4-(3-fluoro-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 68513301
N-[(1R)-1-(3-methoxyphenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 86764444
2-Phenyl-3-pyridin-4-ylmethylene-chroman-4-one
CID 6116651
(3E)-2-phenyl-3-(pyridin-4-ylmethylidene)chromen-4-one
CID 44266353
N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide
CID 134823958

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(5-fluoro-3-pyridinyl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-[[2-(5-fluoro-3-pyridinyl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone (CID 172632477) is [4-[[2-(5-fluoro-3-pyridinyl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-[[2-(5-fluoro-3-pyridinyl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-[[2-(5-fluoro-3-pyridinyl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone is O=C(c1ccc(COc2ccccc2-c2cncc(F)c2)cc1)N1CCCCC1.
What is the InChIKey of [4-[[2-(5-fluoro-3-pyridinyl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone?
The InChIKey is LROSLXPSDXFFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O2/c25-21-14-20(15-26-16-21)22-6-2-3-7-23(22)29-17-18-8-10-19(11-9-18)24(28)27-12-4-1-5-13-27/h2-3,6-11,14-16H,1,4-5,12-13,17H2.
What are the key properties of [4-[[2-(5-fluoro-3-pyridinyl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone?
[4-[[2-(5-fluoro-3-pyridinyl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone has a molecular weight of 390.46 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(5-fluoro-3-pyridinyl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 172632477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).