5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyridin-2-one

C19H24FN3O2 — CID 87054487

IUPAC5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyridin-2-one
SMILESCOCCn1cc(CN2CCN(c3ccccc3F)CC2)ccc1=O
InChIInChI=1S/C19H24FN3O2/c1-25-13-12-23-15-16(6-7-19(23)24)14-21-8-10-22(11-9-21)18-5-3-2-4-17(18)20/h2-7,15H,8-14H2,1H3
InChIKeyXHTVQQLVGDJBOW-UHFFFAOYSA-N
MW345.42 g/mol
LogP1.96
Rot. Bonds6

About 5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyridin-2-one

5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyridin-2-one (PubChem CID 87054487) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is 5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyridin-2-one.

Molecular Properties

Compound Name5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyridin-2-one
PubChem CID87054487
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyridin-2-one
SMILESCOCCn1cc(CN2CCN(c3ccccc3F)CC2)ccc1=O
InChIInChI=1S/C19H24FN3O2/c1-25-13-12-23-15-16(6-7-19(23)24)14-21-8-10-22(11-9-21)18-5-3-2-4-17(18)20/h2-7,15H,8-14H2,1H3
InChIKeyXHTVQQLVGDJBOW-UHFFFAOYSA-N
XLogP1.96
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyridin-2-one?
The IUPAC name of 5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyridin-2-one (CID 87054487) is 5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyridin-2-one.
What is the SMILES notation for 5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyridin-2-one?
The canonical SMILES for 5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyridin-2-one is COCCn1cc(CN2CCN(c3ccccc3F)CC2)ccc1=O.
What is the InChIKey of 5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyridin-2-one?
The InChIKey is XHTVQQLVGDJBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-25-13-12-23-15-16(6-7-19(23)24)14-21-8-10-22(11-9-21)18-5-3-2-4-17(18)20/h2-7,15H,8-14H2,1H3.
What are the key properties of 5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyridin-2-one?
5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyridin-2-one has a molecular weight of 345.42 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyridin-2-one is sourced from PubChem (CID 87054487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).