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

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CID 1450059
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CID 1450067
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CID 1450072
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CID 1450155
CID 1450155
CID 1450157
CID 1450157
CID 6467378
CID 6467378
CID 6488622
CID 6488622
CID 7080707
CID 7080707
CID 7080709
CID 7080709
CID 135414578
CID 135414578
CID 874440
CID 874440

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).