3-[[4-[(2-fluorophenoxy)methyl]-4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one

C26H28F2N2O2 — CID 22248002

IUPAC3-[[4-[(2-fluorophenoxy)methyl]-4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one
SMILESO=c1[nH]cccc1CN1CCC(CCc2ccccc2F)(COc2ccccc2F)CC1
InChIInChI=1S/C26H28F2N2O2/c27-22-8-2-1-6-20(22)11-12-26(19-32-24-10-4-3-9-23(24)28)13-16-30(17-14-26)18-21-7-5-15-29-25(21)31/h1-10,15H,11-14,16-19H2,(H,29,31)
InChIKeyWYPFBPVHVOXWLQ-UHFFFAOYSA-N
MW438.52 g/mol
LogP4.95
Rot. Bonds8

About 3-[[4-[(2-fluorophenoxy)methyl]-4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one

3-[[4-[(2-fluorophenoxy)methyl]-4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one (PubChem CID 22248002) has the molecular formula C26H28F2N2O2 and a molecular weight of 438.52 g/mol. Its IUPAC name is 3-[[4-[(2-fluorophenoxy)methyl]-4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[[4-[(2-fluorophenoxy)methyl]-4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one
PubChem CID22248002
Molecular FormulaC26H28F2N2O2
Molecular Weight438.52 g/mol
Exact Mass438.21
IUPAC Name3-[[4-[(2-fluorophenoxy)methyl]-4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one
SMILESO=c1[nH]cccc1CN1CCC(CCc2ccccc2F)(COc2ccccc2F)CC1
InChIInChI=1S/C26H28F2N2O2/c27-22-8-2-1-6-20(22)11-12-26(19-32-24-10-4-3-9-23(24)28)13-16-30(17-14-26)18-21-7-5-15-29-25(21)31/h1-10,15H,11-14,16-19H2,(H,29,31)
InChIKeyWYPFBPVHVOXWLQ-UHFFFAOYSA-N
XLogP4.95
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(2-fluorophenoxy)methyl]-4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one?
The IUPAC name of 3-[[4-[(2-fluorophenoxy)methyl]-4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one (CID 22248002) is 3-[[4-[(2-fluorophenoxy)methyl]-4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[[4-[(2-fluorophenoxy)methyl]-4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[[4-[(2-fluorophenoxy)methyl]-4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one is O=c1[nH]cccc1CN1CCC(CCc2ccccc2F)(COc2ccccc2F)CC1.
What is the InChIKey of 3-[[4-[(2-fluorophenoxy)methyl]-4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one?
The InChIKey is WYPFBPVHVOXWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N2O2/c27-22-8-2-1-6-20(22)11-12-26(19-32-24-10-4-3-9-23(24)28)13-16-30(17-14-26)18-21-7-5-15-29-25(21)31/h1-10,15H,11-14,16-19H2,(H,29,31).
What are the key properties of 3-[[4-[(2-fluorophenoxy)methyl]-4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one?
3-[[4-[(2-fluorophenoxy)methyl]-4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one has a molecular weight of 438.52 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(2-fluorophenoxy)methyl]-4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 22248002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).