2-(4-fluorophenyl)-1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone

C25H24F2N2O — CID 110249685

IUPAC2-(4-fluorophenyl)-1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCCC(c2cccc(Cc3cccc(F)c3)n2)C1
InChIInChI=1S/C25H24F2N2O/c26-21-11-9-18(10-12-21)16-25(30)29-13-3-5-20(17-29)24-8-2-7-23(28-24)15-19-4-1-6-22(27)14-19/h1-2,4,6-12,14,20H,3,5,13,15-17H2
InChIKeyKEALCWBBQKPXIG-UHFFFAOYSA-N
MW406.48 g/mol
LogP4.90
Rot. Bonds5

About 2-(4-fluorophenyl)-1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone

2-(4-fluorophenyl)-1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 110249685) has the molecular formula C25H24F2N2O and a molecular weight of 406.48 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
PubChem CID110249685
Molecular FormulaC25H24F2N2O
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name2-(4-fluorophenyl)-1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCCC(c2cccc(Cc3cccc(F)c3)n2)C1
InChIInChI=1S/C25H24F2N2O/c26-21-11-9-18(10-12-21)16-25(30)29-13-3-5-20(17-29)24-8-2-7-23(28-24)15-19-4-1-6-22(27)14-19/h1-2,4,6-12,14,20H,3,5,13,15-17H2
InChIKeyKEALCWBBQKPXIG-UHFFFAOYSA-N
XLogP4.90
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S)-3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 95809788
2-(4-fluorophenyl)-1-[3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110249683
2-(dimethylamino)-1-[(3S)-3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 95810466
1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 110249457
2-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone
CID 110249321
1-[3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenylethanone
CID 110249442
1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 95809941
2-pyridin-4-yl-1-[(3S)-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 95809801
(4-fluorophenyl)-[(3S)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 95809016
3-[6-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-2-pyridinyl]benzamide
CID 95809940
1-[(3S)-3-[6-(3-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 95809769
2-(4-fluorophenyl)-1-[3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110249679

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone (CID 110249685) is 2-(4-fluorophenyl)-1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone is O=C(Cc1ccc(F)cc1)N1CCCC(c2cccc(Cc3cccc(F)c3)n2)C1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone?
The InChIKey is KEALCWBBQKPXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N2O/c26-21-11-9-18(10-12-21)16-25(30)29-13-3-5-20(17-29)24-8-2-7-23(28-24)15-19-4-1-6-22(27)14-19/h1-2,4,6-12,14,20H,3,5,13,15-17H2.
What are the key properties of 2-(4-fluorophenyl)-1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone?
2-(4-fluorophenyl)-1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 406.48 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110249685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).