1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenoxyethanone

C25H25FN2O2 — CID 95809413

IUPAC1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1
InChIInChI=1S/C25H25FN2O2/c26-21-11-9-19(10-12-21)17-22-5-4-8-24(27-22)20-13-15-28(16-14-20)25(29)18-30-23-6-2-1-3-7-23/h1-12,20H,13-18H2
InChIKeyFRYFHOFBSLETCW-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.60
Rot. Bonds6

About 1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenoxyethanone

1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenoxyethanone (PubChem CID 95809413) has the molecular formula C25H25FN2O2 and a molecular weight of 404.49 g/mol. Its IUPAC name is 1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenoxyethanone
PubChem CID95809413
Molecular FormulaC25H25FN2O2
Molecular Weight404.49 g/mol
Exact Mass404.19
IUPAC Name1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1
InChIInChI=1S/C25H25FN2O2/c26-21-11-9-19(10-12-21)17-22-5-4-8-24(27-22)20-13-15-28(16-14-20)25(29)18-30-23-6-2-1-3-7-23/h1-12,20H,13-18H2
InChIKeyFRYFHOFBSLETCW-UHFFFAOYSA-N
XLogP4.60
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 95809941
1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 95817811
1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95809910
1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 110085536
1-[4-[6-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-phenoxyethanone
CID 95819712
2-[(4-fluorophenyl)methyl]-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyridine
CID 95809288
2-(dimethylamino)-1-[4-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 95810474
1-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-2-phenoxyethanone
CID 3617148
2-(4-fluorophenoxy)-1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 125021789
1-[(3S)-3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 95809788
N-(4-fluorophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631357
3-(4-fluorophenyl)-2-methyl-1-[4-(2-phenoxyacetyl)piperazin-1-yl]propan-1-one
CID 110352181

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenoxyethanone (CID 95809413) is 1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenoxyethanone is O=C(COc1ccccc1)N1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1.
What is the InChIKey of 1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenoxyethanone?
The InChIKey is FRYFHOFBSLETCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O2/c26-21-11-9-19(10-12-21)17-22-5-4-8-24(27-22)20-13-15-28(16-14-20)25(29)18-30-23-6-2-1-3-7-23/h1-12,20H,13-18H2.
What are the key properties of 1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenoxyethanone?
1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenoxyethanone has a molecular weight of 404.49 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 95809413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).