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

C18H20FN3O2 — CID 75460684

IUPAC4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1ccc(C(=O)N2CCN(Cc3ccccc3F)CC2)cc1=O
InChIInChI=1S/C18H20FN3O2/c1-20-7-6-14(12-17(20)23)18(24)22-10-8-21(9-11-22)13-15-4-2-3-5-16(15)19/h2-7,12H,8-11,13H2,1H3
InChIKeyFWJMRTANJHQFAS-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.48
Rot. Bonds3

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

4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 75460684) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyridin-2-one
PubChem CID75460684
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1ccc(C(=O)N2CCN(Cc3ccccc3F)CC2)cc1=O
InChIInChI=1S/C18H20FN3O2/c1-20-7-6-14(12-17(20)23)18(24)22-10-8-21(9-11-22)13-15-4-2-3-5-16(15)19/h2-7,12H,8-11,13H2,1H3
InChIKeyFWJMRTANJHQFAS-UHFFFAOYSA-N
XLogP1.48
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyridin-2-one (CID 75460684) is 4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyridin-2-one is Cn1ccc(C(=O)N2CCN(Cc3ccccc3F)CC2)cc1=O.
What is the InChIKey of 4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is FWJMRTANJHQFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-20-7-6-14(12-17(20)23)18(24)22-10-8-21(9-11-22)13-15-4-2-3-5-16(15)19/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyridin-2-one?
4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 329.38 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 75460684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).