1-(3-fluorophenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one

C19H19FN2O3 — CID 24716334

IUPAC1-(3-fluorophenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one
SMILESCOc1ccccc1C(=O)N1CCN(c2cccc(F)c2)C(=O)C1C
InChIInChI=1S/C19H19FN2O3/c1-13-18(23)22(15-7-5-6-14(20)12-15)11-10-21(13)19(24)16-8-3-4-9-17(16)25-2/h3-9,12-13H,10-11H2,1-2H3
InChIKeyCYUUXKVZKLDXOU-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.71
Rot. Bonds3

About 1-(3-fluorophenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one

1-(3-fluorophenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one (PubChem CID 24716334) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one
PubChem CID24716334
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name1-(3-fluorophenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one
SMILESCOc1ccccc1C(=O)N1CCN(c2cccc(F)c2)C(=O)C1C
InChIInChI=1S/C19H19FN2O3/c1-13-18(23)22(15-7-5-6-14(20)12-15)11-10-21(13)19(24)16-8-3-4-9-17(16)25-2/h3-9,12-13H,10-11H2,1-2H3
InChIKeyCYUUXKVZKLDXOU-UHFFFAOYSA-N
XLogP2.71
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one?
The IUPAC name of 1-(3-fluorophenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one (CID 24716334) is 1-(3-fluorophenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 1-(3-fluorophenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one?
The canonical SMILES for 1-(3-fluorophenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one is COc1ccccc1C(=O)N1CCN(c2cccc(F)c2)C(=O)C1C.
What is the InChIKey of 1-(3-fluorophenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one?
The InChIKey is CYUUXKVZKLDXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-13-18(23)22(15-7-5-6-14(20)12-15)11-10-21(13)19(24)16-8-3-4-9-17(16)25-2/h3-9,12-13H,10-11H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one?
1-(3-fluorophenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one has a molecular weight of 342.37 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 24716334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).