3-[(3-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one

C26H30FN3O3 — CID 54703764

IUPAC3-[(3-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
SMILESCOCCn1c(C)cc(O)c(C(c2cccc(F)c2)N2CCN(c3ccccc3)CC2)c1=O
InChIInChI=1S/C26H30FN3O3/c1-19-17-23(31)24(26(32)30(19)15-16-33-2)25(20-7-6-8-21(27)18-20)29-13-11-28(12-14-29)22-9-4-3-5-10-22/h3-10,17-18,25,31H,11-16H2,1-2H3
InChIKeyUGYXDZBHDWRJGO-UHFFFAOYSA-N
MW451.54 g/mol
LogP3.56
Rot. Bonds7

About 3-[(3-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one

3-[(3-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one (PubChem CID 54703764) has the molecular formula C26H30FN3O3 and a molecular weight of 451.54 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-[(3-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
PubChem CID54703764
Molecular FormulaC26H30FN3O3
Molecular Weight451.54 g/mol
Exact Mass451.23
IUPAC Name3-[(3-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
SMILESCOCCn1c(C)cc(O)c(C(c2cccc(F)c2)N2CCN(c3ccccc3)CC2)c1=O
InChIInChI=1S/C26H30FN3O3/c1-19-17-23(31)24(26(32)30(19)15-16-33-2)25(20-7-6-8-21(27)18-20)29-13-11-28(12-14-29)22-9-4-3-5-10-22/h3-10,17-18,25,31H,11-16H2,1-2H3
InChIKeyUGYXDZBHDWRJGO-UHFFFAOYSA-N
XLogP3.56
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.54
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one?
The IUPAC name of 3-[(3-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one (CID 54703764) is 3-[(3-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one.
What is the SMILES notation for 3-[(3-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one?
The canonical SMILES for 3-[(3-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one is COCCn1c(C)cc(O)c(C(c2cccc(F)c2)N2CCN(c3ccccc3)CC2)c1=O.
What is the InChIKey of 3-[(3-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one?
The InChIKey is UGYXDZBHDWRJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O3/c1-19-17-23(31)24(26(32)30(19)15-16-33-2)25(20-7-6-8-21(27)18-20)29-13-11-28(12-14-29)22-9-4-3-5-10-22/h3-10,17-18,25,31H,11-16H2,1-2H3.
What are the key properties of 3-[(3-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one?
3-[(3-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one has a molecular weight of 451.54 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one is sourced from PubChem (CID 54703764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).