6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-1H-pyridin-2-one

C16H18FN3O — CID 171326837

IUPAC6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-1H-pyridin-2-one
SMILESO=c1cccc(N2CCN(Cc3cccc(F)c3)CC2)[nH]1
InChIInChI=1S/C16H18FN3O/c17-14-4-1-3-13(11-14)12-19-7-9-20(10-8-19)15-5-2-6-16(21)18-15/h1-6,11H,7-10,12H2,(H,18,21)
InChIKeyHQRSELZTFIIJFB-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.84
Rot. Bonds3

About 6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-1H-pyridin-2-one

6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-1H-pyridin-2-one (PubChem CID 171326837) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-1H-pyridin-2-one
PubChem CID171326837
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-1H-pyridin-2-one
SMILESO=c1cccc(N2CCN(Cc3cccc(F)c3)CC2)[nH]1
InChIInChI=1S/C16H18FN3O/c17-14-4-1-3-13(11-14)12-19-7-9-20(10-8-19)15-5-2-6-16(21)18-15/h1-6,11H,7-10,12H2,(H,18,21)
InChIKeyHQRSELZTFIIJFB-UHFFFAOYSA-N
XLogP1.84
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 828709
1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine
CID 3133648
1-[(3-fluorophenyl)methyl]piperazine;dihydrochloride
CID 53422102
4-[(3-fluorophenyl)methyl]piperazine-1-sulfonamide
CID 47147073
4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one
CID 53191759
1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine;oxalic acid
CID 163326429
1-[(3-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 2901187
1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[(3-fluorophenyl)methyl]piperazine
CID 90507425
1-[(3-fluorophenyl)methyl]-4-prop-2-ynylpiperazine
CID 138041794
2-[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 62824164
6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-1H-pyridin-2-one
CID 171704152

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-1H-pyridin-2-one?
The IUPAC name of 6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-1H-pyridin-2-one (CID 171326837) is 6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-1H-pyridin-2-one?
The canonical SMILES for 6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-1H-pyridin-2-one is O=c1cccc(N2CCN(Cc3cccc(F)c3)CC2)[nH]1.
What is the InChIKey of 6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-1H-pyridin-2-one?
The InChIKey is HQRSELZTFIIJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c17-14-4-1-3-13(11-14)12-19-7-9-20(10-8-19)15-5-2-6-16(21)18-15/h1-6,11H,7-10,12H2,(H,18,21).
What are the key properties of 6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-1H-pyridin-2-one?
6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-1H-pyridin-2-one has a molecular weight of 287.34 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-1H-pyridin-2-one is sourced from PubChem (CID 171326837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).