1-[2-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]quinolin-4-one

C24H25FN2O2 — CID 56879186

IUPAC1-[2-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]quinolin-4-one
SMILESO=C(Cn1ccc(=O)c2ccccc21)N1CCCC(CCc2ccc(F)cc2)C1
InChIInChI=1S/C24H25FN2O2/c25-20-11-9-18(10-12-20)7-8-19-4-3-14-27(16-19)24(29)17-26-15-13-23(28)21-5-1-2-6-22(21)26/h1-2,5-6,9-13,15,19H,3-4,7-8,14,16-17H2
InChIKeyBZOOIMOJUDGDIC-UHFFFAOYSA-N
MW392.47 g/mol
LogP4.01
Rot. Bonds5

About 1-[2-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]quinolin-4-one

1-[2-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]quinolin-4-one (PubChem CID 56879186) has the molecular formula C24H25FN2O2 and a molecular weight of 392.47 g/mol. Its IUPAC name is 1-[2-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]quinolin-4-one.

Molecular Properties

Compound Name1-[2-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]quinolin-4-one
PubChem CID56879186
Molecular FormulaC24H25FN2O2
Molecular Weight392.47 g/mol
Exact Mass392.19
IUPAC Name1-[2-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]quinolin-4-one
SMILESO=C(Cn1ccc(=O)c2ccccc21)N1CCCC(CCc2ccc(F)cc2)C1
InChIInChI=1S/C24H25FN2O2/c25-20-11-9-18(10-12-20)7-8-19-4-3-14-27(16-19)24(29)17-26-15-13-23(28)21-5-1-2-6-22(21)26/h1-2,5-6,9-13,15,19H,3-4,7-8,14,16-17H2
InChIKeyBZOOIMOJUDGDIC-UHFFFAOYSA-N
XLogP4.01
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]quinolin-4-one?
The IUPAC name of 1-[2-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]quinolin-4-one (CID 56879186) is 1-[2-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]quinolin-4-one.
What is the SMILES notation for 1-[2-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]quinolin-4-one?
The canonical SMILES for 1-[2-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]quinolin-4-one is O=C(Cn1ccc(=O)c2ccccc21)N1CCCC(CCc2ccc(F)cc2)C1.
What is the InChIKey of 1-[2-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]quinolin-4-one?
The InChIKey is BZOOIMOJUDGDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O2/c25-20-11-9-18(10-12-20)7-8-19-4-3-14-27(16-19)24(29)17-26-15-13-23(28)21-5-1-2-6-22(21)26/h1-2,5-6,9-13,15,19H,3-4,7-8,14,16-17H2.
What are the key properties of 1-[2-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]quinolin-4-one?
1-[2-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]quinolin-4-one has a molecular weight of 392.47 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]quinolin-4-one is sourced from PubChem (CID 56879186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).