6-[4-(1-cyclobutylpiperidin-4-yl)oxy-3-fluorophenyl]-4,5-dihydro-2H-pyridin-3-one

C20H25FN2O2 — CID 58522827

IUPAC6-[4-(1-cyclobutylpiperidin-4-yl)oxy-3-fluorophenyl]-4,5-dihydro-2H-pyridin-3-one
SMILESO=C1CCC(c2ccc(OC3CCN(C4CCC4)CC3)c(F)c2)=NC1
InChIInChI=1S/C20H25FN2O2/c21-18-12-14(19-6-5-16(24)13-22-19)4-7-20(18)25-17-8-10-23(11-9-17)15-2-1-3-15/h4,7,12,15,17H,1-3,5-6,8-11,13H2
InChIKeyMQFQGDLWTAIXLM-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.37
Rot. Bonds4

About 6-[4-(1-cyclobutylpiperidin-4-yl)oxy-3-fluorophenyl]-4,5-dihydro-2H-pyridin-3-one

6-[4-(1-cyclobutylpiperidin-4-yl)oxy-3-fluorophenyl]-4,5-dihydro-2H-pyridin-3-one (PubChem CID 58522827) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 6-[4-(1-cyclobutylpiperidin-4-yl)oxy-3-fluorophenyl]-4,5-dihydro-2H-pyridin-3-one.

Molecular Properties

Compound Name6-[4-(1-cyclobutylpiperidin-4-yl)oxy-3-fluorophenyl]-4,5-dihydro-2H-pyridin-3-one
PubChem CID58522827
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name6-[4-(1-cyclobutylpiperidin-4-yl)oxy-3-fluorophenyl]-4,5-dihydro-2H-pyridin-3-one
SMILESO=C1CCC(c2ccc(OC3CCN(C4CCC4)CC3)c(F)c2)=NC1
InChIInChI=1S/C20H25FN2O2/c21-18-12-14(19-6-5-16(24)13-22-19)4-7-20(18)25-17-8-10-23(11-9-17)15-2-1-3-15/h4,7,12,15,17H,1-3,5-6,8-11,13H2
InChIKeyMQFQGDLWTAIXLM-UHFFFAOYSA-N
XLogP3.37
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-cyclobutylpiperidin-4-yl)oxy-3-fluorophenyl]-4,5-dihydro-2H-pyridin-3-one?
The IUPAC name of 6-[4-(1-cyclobutylpiperidin-4-yl)oxy-3-fluorophenyl]-4,5-dihydro-2H-pyridin-3-one (CID 58522827) is 6-[4-(1-cyclobutylpiperidin-4-yl)oxy-3-fluorophenyl]-4,5-dihydro-2H-pyridin-3-one.
What is the SMILES notation for 6-[4-(1-cyclobutylpiperidin-4-yl)oxy-3-fluorophenyl]-4,5-dihydro-2H-pyridin-3-one?
The canonical SMILES for 6-[4-(1-cyclobutylpiperidin-4-yl)oxy-3-fluorophenyl]-4,5-dihydro-2H-pyridin-3-one is O=C1CCC(c2ccc(OC3CCN(C4CCC4)CC3)c(F)c2)=NC1.
What is the InChIKey of 6-[4-(1-cyclobutylpiperidin-4-yl)oxy-3-fluorophenyl]-4,5-dihydro-2H-pyridin-3-one?
The InChIKey is MQFQGDLWTAIXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c21-18-12-14(19-6-5-16(24)13-22-19)4-7-20(18)25-17-8-10-23(11-9-17)15-2-1-3-15/h4,7,12,15,17H,1-3,5-6,8-11,13H2.
What are the key properties of 6-[4-(1-cyclobutylpiperidin-4-yl)oxy-3-fluorophenyl]-4,5-dihydro-2H-pyridin-3-one?
6-[4-(1-cyclobutylpiperidin-4-yl)oxy-3-fluorophenyl]-4,5-dihydro-2H-pyridin-3-one has a molecular weight of 344.43 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-cyclobutylpiperidin-4-yl)oxy-3-fluorophenyl]-4,5-dihydro-2H-pyridin-3-one is sourced from PubChem (CID 58522827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).