1-ethyl-3-[(R)-[4-(4-fluorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one

C26H30FN3O3 — CID 54739349

IUPAC1-ethyl-3-[(R)-[4-(4-fluorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCCn1c(C)cc(O)c([C@@H](c2ccccc2OC)N2CCN(c3ccc(F)cc3)CC2)c1=O
InChIInChI=1S/C26H30FN3O3/c1-4-30-18(2)17-22(31)24(26(30)32)25(21-7-5-6-8-23(21)33-3)29-15-13-28(14-16-29)20-11-9-19(27)10-12-20/h5-12,17,25,31H,4,13-16H2,1-3H3/t25-/m1/s1
InChIKeyWJPBBNLHTGUZDN-RUZDIDTESA-N
MW451.54 g/mol
LogP3.94
Rot. Bonds6

About 1-ethyl-3-[(R)-[4-(4-fluorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one

1-ethyl-3-[(R)-[4-(4-fluorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one (PubChem CID 54739349) has the molecular formula C26H30FN3O3 and a molecular weight of 451.54 g/mol. Its IUPAC name is 1-ethyl-3-[(R)-[4-(4-fluorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[(R)-[4-(4-fluorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
PubChem CID54739349
Molecular FormulaC26H30FN3O3
Molecular Weight451.54 g/mol
Exact Mass451.23
IUPAC Name1-ethyl-3-[(R)-[4-(4-fluorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCCn1c(C)cc(O)c([C@@H](c2ccccc2OC)N2CCN(c3ccc(F)cc3)CC2)c1=O
InChIInChI=1S/C26H30FN3O3/c1-4-30-18(2)17-22(31)24(26(30)32)25(21-7-5-6-8-23(21)33-3)29-15-13-28(14-16-29)20-11-9-19(27)10-12-20/h5-12,17,25,31H,4,13-16H2,1-3H3/t25-/m1/s1
InChIKeyWJPBBNLHTGUZDN-RUZDIDTESA-N
XLogP3.94
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.54
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-3-[(R)-[4-(4-fluorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one with MolForge

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Related Compounds

1-ethyl-4-hydroxy-3-[(R)-(2-methoxyphenyl)-(4-phenylpiperazin-1-yl)methyl]-6-methylpyridin-2-one
CID 92762512
3-[(3,4-dimethoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
CID 54692561
1-ethyl-3-[[4-(4-fluorophenyl)piperazin-1-yl]-phenylmethyl]-4-hydroxy-6-methylpyridin-2-one
CID 54729094
1-ethyl-4-hydroxy-3-[(R)-(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-6-methylpyridin-2-one
CID 54739341
1-ethyl-3-[(S)-(3-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-hydroxy-6-methylpyridin-2-one
CID 54739400
3-[(3,4-dimethoxyphenyl)-(4-phenylpiperazin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
CID 54729045
3-[(2-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 54703761
1-ethyl-3-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 54692533
1-ethyl-3-[(R)-(2-fluorophenyl)-piperidin-1-ylmethyl]-4-hydroxy-6-methylpyridin-2-one
CID 92787321
3-[(S)-[4-(4-fluorophenyl)piperazin-1-yl]-(3-methoxyphenyl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 54739508
1-ethyl-4-hydroxy-6-methyl-3-[(4-methylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methyl]pyridin-2-one
CID 54729067
1-ethyl-3-[(S)-[4-(2-fluorophenyl)piperazin-1-yl]-(3-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 54739334

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(R)-[4-(4-fluorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one?
The IUPAC name of 1-ethyl-3-[(R)-[4-(4-fluorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one (CID 54739349) is 1-ethyl-3-[(R)-[4-(4-fluorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one.
What is the SMILES notation for 1-ethyl-3-[(R)-[4-(4-fluorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one?
The canonical SMILES for 1-ethyl-3-[(R)-[4-(4-fluorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one is CCn1c(C)cc(O)c([C@@H](c2ccccc2OC)N2CCN(c3ccc(F)cc3)CC2)c1=O.
What is the InChIKey of 1-ethyl-3-[(R)-[4-(4-fluorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one?
The InChIKey is WJPBBNLHTGUZDN-RUZDIDTESA-N. The full InChI is InChI=1S/C26H30FN3O3/c1-4-30-18(2)17-22(31)24(26(30)32)25(21-7-5-6-8-23(21)33-3)29-15-13-28(14-16-29)20-11-9-19(27)10-12-20/h5-12,17,25,31H,4,13-16H2,1-3H3/t25-/m1/s1.
What are the key properties of 1-ethyl-3-[(R)-[4-(4-fluorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one?
1-ethyl-3-[(R)-[4-(4-fluorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one has a molecular weight of 451.54 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(R)-[4-(4-fluorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one is sourced from PubChem (CID 54739349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).