3-(4-fluorophenyl)-1-(3-hydroxy-2H-isoindol-5-yl)piperazin-2-one

C18H16FN3O2 — CID 91178201

IUPAC3-(4-fluorophenyl)-1-(3-hydroxy-2H-isoindol-5-yl)piperazin-2-one
SMILESO=C1C(c2ccc(F)cc2)NCCN1c1ccc2c[nH]c(O)c2c1
InChIInChI=1S/C18H16FN3O2/c19-13-4-1-11(2-5-13)16-18(24)22(8-7-20-16)14-6-3-12-10-21-17(23)15(12)9-14/h1-6,9-10,16,20-21,23H,7-8H2
InChIKeyHEQKPNDTQDMKFH-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.69
Rot. Bonds2

About 3-(4-fluorophenyl)-1-(3-hydroxy-2H-isoindol-5-yl)piperazin-2-one

3-(4-fluorophenyl)-1-(3-hydroxy-2H-isoindol-5-yl)piperazin-2-one (PubChem CID 91178201) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(3-hydroxy-2H-isoindol-5-yl)piperazin-2-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(3-hydroxy-2H-isoindol-5-yl)piperazin-2-one
PubChem CID91178201
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name3-(4-fluorophenyl)-1-(3-hydroxy-2H-isoindol-5-yl)piperazin-2-one
SMILESO=C1C(c2ccc(F)cc2)NCCN1c1ccc2c[nH]c(O)c2c1
InChIInChI=1S/C18H16FN3O2/c19-13-4-1-11(2-5-13)16-18(24)22(8-7-20-16)14-6-3-12-10-21-17(23)15(12)9-14/h1-6,9-10,16,20-21,23H,7-8H2
InChIKeyHEQKPNDTQDMKFH-UHFFFAOYSA-N
XLogP2.69
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(3-hydroxy-2H-isoindol-5-yl)piperazin-2-one?
The IUPAC name of 3-(4-fluorophenyl)-1-(3-hydroxy-2H-isoindol-5-yl)piperazin-2-one (CID 91178201) is 3-(4-fluorophenyl)-1-(3-hydroxy-2H-isoindol-5-yl)piperazin-2-one.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(3-hydroxy-2H-isoindol-5-yl)piperazin-2-one?
The canonical SMILES for 3-(4-fluorophenyl)-1-(3-hydroxy-2H-isoindol-5-yl)piperazin-2-one is O=C1C(c2ccc(F)cc2)NCCN1c1ccc2c[nH]c(O)c2c1.
What is the InChIKey of 3-(4-fluorophenyl)-1-(3-hydroxy-2H-isoindol-5-yl)piperazin-2-one?
The InChIKey is HEQKPNDTQDMKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c19-13-4-1-11(2-5-13)16-18(24)22(8-7-20-16)14-6-3-12-10-21-17(23)15(12)9-14/h1-6,9-10,16,20-21,23H,7-8H2.
What are the key properties of 3-(4-fluorophenyl)-1-(3-hydroxy-2H-isoindol-5-yl)piperazin-2-one?
3-(4-fluorophenyl)-1-(3-hydroxy-2H-isoindol-5-yl)piperazin-2-one has a molecular weight of 325.34 g/mol, XLogP of 2.69, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(3-hydroxy-2H-isoindol-5-yl)piperazin-2-one is sourced from PubChem (CID 91178201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).