5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one

C18H22FN3O — CID 53191664

IUPAC5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one
SMILESCn1cc(CN2CCN(Cc3cccc(F)c3)CC2)ccc1=O
InChIInChI=1S/C18H22FN3O/c1-20-12-16(5-6-18(20)23)14-22-9-7-21(8-10-22)13-15-3-2-4-17(19)11-15/h2-6,11-12H,7-10,13-14H2,1H3
InChIKeyFHQNJBOTJBBWJI-UHFFFAOYSA-N
MW315.39 g/mol
LogP1.84
Rot. Bonds4

About 5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one

5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one (PubChem CID 53191664) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is 5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one
PubChem CID53191664
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one
SMILESCn1cc(CN2CCN(Cc3cccc(F)c3)CC2)ccc1=O
InChIInChI=1S/C18H22FN3O/c1-20-12-16(5-6-18(20)23)14-22-9-7-21(8-10-22)13-15-3-2-4-17(19)11-15/h2-6,11-12H,7-10,13-14H2,1H3
InChIKeyFHQNJBOTJBBWJI-UHFFFAOYSA-N
XLogP1.84
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one?
The IUPAC name of 5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one (CID 53191664) is 5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one is Cn1cc(CN2CCN(Cc3cccc(F)c3)CC2)ccc1=O.
What is the InChIKey of 5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one?
The InChIKey is FHQNJBOTJBBWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-20-12-16(5-6-18(20)23)14-22-9-7-21(8-10-22)13-15-3-2-4-17(19)11-15/h2-6,11-12H,7-10,13-14H2,1H3.
What are the key properties of 5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one?
5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one has a molecular weight of 315.39 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one is sourced from PubChem (CID 53191664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).