5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one

C17H18FN3O2 — CID 75461202

IUPAC5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1=O
InChIInChI=1S/C17H18FN3O2/c1-19-12-13(2-7-16(19)22)17(23)21-10-8-20(9-11-21)15-5-3-14(18)4-6-15/h2-7,12H,8-11H2,1H3
InChIKeyZBYNKAVRNITSFE-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.49
Rot. Bonds2

About 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one

5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 75461202) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one
PubChem CID75461202
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1=O
InChIInChI=1S/C17H18FN3O2/c1-19-12-13(2-7-16(19)22)17(23)21-10-8-20(9-11-21)15-5-3-14(18)4-6-15/h2-7,12H,8-11H2,1H3
InChIKeyZBYNKAVRNITSFE-UHFFFAOYSA-N
XLogP1.49
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one (CID 75461202) is 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one is Cn1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1=O.
What is the InChIKey of 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is ZBYNKAVRNITSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-19-12-13(2-7-16(19)22)17(23)21-10-8-20(9-11-21)15-5-3-14(18)4-6-15/h2-7,12H,8-11H2,1H3.
What are the key properties of 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one?
5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 315.35 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 75461202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).