2-[1-(4-fluorophenyl)-3-oxo-3-piperidin-1-ylpropyl]-3H-isoindol-1-one

C22H23FN2O2 — CID 45106615

IUPAC2-[1-(4-fluorophenyl)-3-oxo-3-piperidin-1-ylpropyl]-3H-isoindol-1-one
SMILESO=C(CC(c1ccc(F)cc1)N1Cc2ccccc2C1=O)N1CCCCC1
InChIInChI=1S/C22H23FN2O2/c23-18-10-8-16(9-11-18)20(14-21(26)24-12-4-1-5-13-24)25-15-17-6-2-3-7-19(17)22(25)27/h2-3,6-11,20H,1,4-5,12-15H2
InChIKeySODJPNOHQKSCDB-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.93
Rot. Bonds4

About 2-[1-(4-fluorophenyl)-3-oxo-3-piperidin-1-ylpropyl]-3H-isoindol-1-one

2-[1-(4-fluorophenyl)-3-oxo-3-piperidin-1-ylpropyl]-3H-isoindol-1-one (PubChem CID 45106615) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)-3-oxo-3-piperidin-1-ylpropyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)-3-oxo-3-piperidin-1-ylpropyl]-3H-isoindol-1-one
PubChem CID45106615
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name2-[1-(4-fluorophenyl)-3-oxo-3-piperidin-1-ylpropyl]-3H-isoindol-1-one
SMILESO=C(CC(c1ccc(F)cc1)N1Cc2ccccc2C1=O)N1CCCCC1
InChIInChI=1S/C22H23FN2O2/c23-18-10-8-16(9-11-18)20(14-21(26)24-12-4-1-5-13-24)25-15-17-6-2-3-7-19(17)22(25)27/h2-3,6-11,20H,1,4-5,12-15H2
InChIKeySODJPNOHQKSCDB-UHFFFAOYSA-N
XLogP3.93
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)-3-oxo-3-piperidin-1-ylpropyl]-3H-isoindol-1-one?
The IUPAC name of 2-[1-(4-fluorophenyl)-3-oxo-3-piperidin-1-ylpropyl]-3H-isoindol-1-one (CID 45106615) is 2-[1-(4-fluorophenyl)-3-oxo-3-piperidin-1-ylpropyl]-3H-isoindol-1-one.
What is the SMILES notation for 2-[1-(4-fluorophenyl)-3-oxo-3-piperidin-1-ylpropyl]-3H-isoindol-1-one?
The canonical SMILES for 2-[1-(4-fluorophenyl)-3-oxo-3-piperidin-1-ylpropyl]-3H-isoindol-1-one is O=C(CC(c1ccc(F)cc1)N1Cc2ccccc2C1=O)N1CCCCC1.
What is the InChIKey of 2-[1-(4-fluorophenyl)-3-oxo-3-piperidin-1-ylpropyl]-3H-isoindol-1-one?
The InChIKey is SODJPNOHQKSCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c23-18-10-8-16(9-11-18)20(14-21(26)24-12-4-1-5-13-24)25-15-17-6-2-3-7-19(17)22(25)27/h2-3,6-11,20H,1,4-5,12-15H2.
What are the key properties of 2-[1-(4-fluorophenyl)-3-oxo-3-piperidin-1-ylpropyl]-3H-isoindol-1-one?
2-[1-(4-fluorophenyl)-3-oxo-3-piperidin-1-ylpropyl]-3H-isoindol-1-one has a molecular weight of 366.44 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)-3-oxo-3-piperidin-1-ylpropyl]-3H-isoindol-1-one is sourced from PubChem (CID 45106615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).