5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]-1H-pyridin-2-one

C25H25FN2O4 — CID 58347915

IUPAC5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]-1H-pyridin-2-one
SMILESO=C(Cc1ccc(=O)[nH]c1)N1CCC(Oc2ccc(OCc3cccc(F)c3)cc2)CC1
InChIInChI=1S/C25H25FN2O4/c26-20-3-1-2-19(14-20)17-31-21-5-7-22(8-6-21)32-23-10-12-28(13-11-23)25(30)15-18-4-9-24(29)27-16-18/h1-9,14,16,23H,10-13,15,17H2,(H,27,29)
InChIKeyIHDQKNPJAKAQEB-UHFFFAOYSA-N
MW436.48 g/mol
LogP3.71
Rot. Bonds7

About 5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]-1H-pyridin-2-one

5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]-1H-pyridin-2-one (PubChem CID 58347915) has the molecular formula C25H25FN2O4 and a molecular weight of 436.48 g/mol. Its IUPAC name is 5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]-1H-pyridin-2-one
PubChem CID58347915
Molecular FormulaC25H25FN2O4
Molecular Weight436.48 g/mol
Exact Mass436.18
IUPAC Name5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]-1H-pyridin-2-one
SMILESO=C(Cc1ccc(=O)[nH]c1)N1CCC(Oc2ccc(OCc3cccc(F)c3)cc2)CC1
InChIInChI=1S/C25H25FN2O4/c26-20-3-1-2-19(14-20)17-31-21-5-7-22(8-6-21)32-23-10-12-28(13-11-23)25(30)15-18-4-9-24(29)27-16-18/h1-9,14,16,23H,10-13,15,17H2,(H,27,29)
InChIKeyIHDQKNPJAKAQEB-UHFFFAOYSA-N
XLogP3.71
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]-1H-pyridin-2-one?
The IUPAC name of 5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]-1H-pyridin-2-one (CID 58347915) is 5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]-1H-pyridin-2-one is O=C(Cc1ccc(=O)[nH]c1)N1CCC(Oc2ccc(OCc3cccc(F)c3)cc2)CC1.
What is the InChIKey of 5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]-1H-pyridin-2-one?
The InChIKey is IHDQKNPJAKAQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O4/c26-20-3-1-2-19(14-20)17-31-21-5-7-22(8-6-21)32-23-10-12-28(13-11-23)25(30)15-18-4-9-24(29)27-16-18/h1-9,14,16,23H,10-13,15,17H2,(H,27,29).
What are the key properties of 5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]-1H-pyridin-2-one?
5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]-1H-pyridin-2-one has a molecular weight of 436.48 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]-1H-pyridin-2-one is sourced from PubChem (CID 58347915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).