1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(4-pyridin-2-yloxyphenoxy)ethanone

C24H22F2N2O4 — CID 112836578

IUPAC1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(4-pyridin-2-yloxyphenoxy)ethanone
SMILESO=C(COc1ccc(Oc2ccccn2)cc1)N1CCC(Oc2ccc(F)cc2F)CC1
InChIInChI=1S/C24H22F2N2O4/c25-17-4-9-22(21(26)15-17)31-20-10-13-28(14-11-20)24(29)16-30-18-5-7-19(8-6-18)32-23-3-1-2-12-27-23/h1-9,12,15,20H,10-11,13-14,16H2
InChIKeyQRCVTILWENJYII-UHFFFAOYSA-N
MW440.45 g/mol
LogP4.60
Rot. Bonds7

About 1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(4-pyridin-2-yloxyphenoxy)ethanone

1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(4-pyridin-2-yloxyphenoxy)ethanone (PubChem CID 112836578) has the molecular formula C24H22F2N2O4 and a molecular weight of 440.45 g/mol. Its IUPAC name is 1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(4-pyridin-2-yloxyphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(4-pyridin-2-yloxyphenoxy)ethanone
PubChem CID112836578
Molecular FormulaC24H22F2N2O4
Molecular Weight440.45 g/mol
Exact Mass440.15
IUPAC Name1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(4-pyridin-2-yloxyphenoxy)ethanone
SMILESO=C(COc1ccc(Oc2ccccn2)cc1)N1CCC(Oc2ccc(F)cc2F)CC1
InChIInChI=1S/C24H22F2N2O4/c25-17-4-9-22(21(26)15-17)31-20-10-13-28(14-11-20)24(29)16-30-18-5-7-19(8-6-18)32-23-3-1-2-12-27-23/h1-9,12,15,20H,10-11,13-14,16H2
InChIKeyQRCVTILWENJYII-UHFFFAOYSA-N
XLogP4.60
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(4-pyridin-2-yloxyphenoxy)ethanone?
The IUPAC name of 1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(4-pyridin-2-yloxyphenoxy)ethanone (CID 112836578) is 1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(4-pyridin-2-yloxyphenoxy)ethanone.
What is the SMILES notation for 1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(4-pyridin-2-yloxyphenoxy)ethanone?
The canonical SMILES for 1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(4-pyridin-2-yloxyphenoxy)ethanone is O=C(COc1ccc(Oc2ccccn2)cc1)N1CCC(Oc2ccc(F)cc2F)CC1.
What is the InChIKey of 1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(4-pyridin-2-yloxyphenoxy)ethanone?
The InChIKey is QRCVTILWENJYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N2O4/c25-17-4-9-22(21(26)15-17)31-20-10-13-28(14-11-20)24(29)16-30-18-5-7-19(8-6-18)32-23-3-1-2-12-27-23/h1-9,12,15,20H,10-11,13-14,16H2.
What are the key properties of 1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(4-pyridin-2-yloxyphenoxy)ethanone?
1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(4-pyridin-2-yloxyphenoxy)ethanone has a molecular weight of 440.45 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(4-pyridin-2-yloxyphenoxy)ethanone is sourced from PubChem (CID 112836578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).