1-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-(2-fluorophenoxy)ethanone

C18H18ClFN2O3 — CID 71798842

IUPAC1-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-(2-fluorophenoxy)ethanone
SMILESO=C(COc1ccccc1F)N1CCC(Oc2ncccc2Cl)CC1
InChIInChI=1S/C18H18ClFN2O3/c19-14-4-3-9-21-18(14)25-13-7-10-22(11-8-13)17(23)12-24-16-6-2-1-5-15(16)20/h1-6,9,13H,7-8,10-12H2
InChIKeyORGINRDJVPQPHE-UHFFFAOYSA-N
MW364.80 g/mol
LogP3.32
Rot. Bonds5

About 1-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-(2-fluorophenoxy)ethanone

1-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-(2-fluorophenoxy)ethanone (PubChem CID 71798842) has the molecular formula C18H18ClFN2O3 and a molecular weight of 364.80 g/mol. Its IUPAC name is 1-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-(2-fluorophenoxy)ethanone.

Molecular Properties

Compound Name1-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-(2-fluorophenoxy)ethanone
PubChem CID71798842
Molecular FormulaC18H18ClFN2O3
Molecular Weight364.80 g/mol
Exact Mass364.10
IUPAC Name1-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-(2-fluorophenoxy)ethanone
SMILESO=C(COc1ccccc1F)N1CCC(Oc2ncccc2Cl)CC1
InChIInChI=1S/C18H18ClFN2O3/c19-14-4-3-9-21-18(14)25-13-7-10-22(11-8-13)17(23)12-24-16-6-2-1-5-15(16)20/h1-6,9,13H,7-8,10-12H2
InChIKeyORGINRDJVPQPHE-UHFFFAOYSA-N
XLogP3.32
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.80
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-(2-fluorophenoxy)ethanone?
The IUPAC name of 1-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-(2-fluorophenoxy)ethanone (CID 71798842) is 1-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-(2-fluorophenoxy)ethanone.
What is the SMILES notation for 1-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-(2-fluorophenoxy)ethanone?
The canonical SMILES for 1-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-(2-fluorophenoxy)ethanone is O=C(COc1ccccc1F)N1CCC(Oc2ncccc2Cl)CC1.
What is the InChIKey of 1-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-(2-fluorophenoxy)ethanone?
The InChIKey is ORGINRDJVPQPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O3/c19-14-4-3-9-21-18(14)25-13-7-10-22(11-8-13)17(23)12-24-16-6-2-1-5-15(16)20/h1-6,9,13H,7-8,10-12H2.
What are the key properties of 1-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-(2-fluorophenoxy)ethanone?
1-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-(2-fluorophenoxy)ethanone has a molecular weight of 364.80 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-(2-fluorophenoxy)ethanone is sourced from PubChem (CID 71798842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).