1-ethyl-4-hydroxy-6-methyl-3-[(4-methylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methyl]pyridin-2-one

C26H31N3O2S — CID 54729067

IUPAC1-ethyl-4-hydroxy-6-methyl-3-[(4-methylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methyl]pyridin-2-one
SMILESCCn1c(C)cc(O)c(C(c2ccc(SC)cc2)N2CCN(c3ccccc3)CC2)c1=O
InChIInChI=1S/C26H31N3O2S/c1-4-29-19(2)18-23(30)24(26(29)31)25(20-10-12-22(32-3)13-11-20)28-16-14-27(15-17-28)21-8-6-5-7-9-21/h5-13,18,25,30H,4,14-17H2,1-3H3
InChIKeySXLQNSIIEHMBJZ-UHFFFAOYSA-N
MW449.62 g/mol
LogP4.52
Rot. Bonds6

About 1-ethyl-4-hydroxy-6-methyl-3-[(4-methylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methyl]pyridin-2-one

1-ethyl-4-hydroxy-6-methyl-3-[(4-methylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methyl]pyridin-2-one (PubChem CID 54729067) has the molecular formula C26H31N3O2S and a molecular weight of 449.62 g/mol. Its IUPAC name is 1-ethyl-4-hydroxy-6-methyl-3-[(4-methylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-4-hydroxy-6-methyl-3-[(4-methylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methyl]pyridin-2-one
PubChem CID54729067
Molecular FormulaC26H31N3O2S
Molecular Weight449.62 g/mol
Exact Mass449.21
IUPAC Name1-ethyl-4-hydroxy-6-methyl-3-[(4-methylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methyl]pyridin-2-one
SMILESCCn1c(C)cc(O)c(C(c2ccc(SC)cc2)N2CCN(c3ccccc3)CC2)c1=O
InChIInChI=1S/C26H31N3O2S/c1-4-29-19(2)18-23(30)24(26(29)31)25(20-10-12-22(32-3)13-11-20)28-16-14-27(15-17-28)21-8-6-5-7-9-21/h5-13,18,25,30H,4,14-17H2,1-3H3
InChIKeySXLQNSIIEHMBJZ-UHFFFAOYSA-N
XLogP4.52
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.62
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-4-hydroxy-6-methyl-3-[(4-methylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methyl]pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-ethyl-3-[[4-(4-fluorophenyl)piperazin-1-yl]-phenylmethyl]-4-hydroxy-6-methylpyridin-2-one
CID 54729094
3-[(3,4-dimethoxyphenyl)-(4-phenylpiperazin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
CID 54729045
1-ethyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethyl]-4-hydroxy-6-methylpyridin-2-one
CID 54729093
3-[(S)-(4-chlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
CID 54739382
1-benzyl-4-hydroxy-6-methyl-3-[(4-phenylpiperazin-1-yl)-pyridin-4-ylmethyl]pyridin-2-one
CID 54729077
1-ethyl-4-hydroxy-3-[(R)-(2-methoxyphenyl)-(4-phenylpiperazin-1-yl)methyl]-6-methylpyridin-2-one
CID 92762512
1-ethyl-3-[(S)-(3-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-hydroxy-6-methylpyridin-2-one
CID 54739400
3-[(S)-[4-(2-fluorophenyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 54739600
1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one
CID 54720775
4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(R)-(4-methylsulfanylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one
CID 54739605
1-ethyl-3-[(4-ethylpiperazin-1-yl)-(4-methylphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 54729065
3-[(3,4-dimethoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
CID 54692561

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-hydroxy-6-methyl-3-[(4-methylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methyl]pyridin-2-one?
The IUPAC name of 1-ethyl-4-hydroxy-6-methyl-3-[(4-methylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methyl]pyridin-2-one (CID 54729067) is 1-ethyl-4-hydroxy-6-methyl-3-[(4-methylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methyl]pyridin-2-one.
What is the SMILES notation for 1-ethyl-4-hydroxy-6-methyl-3-[(4-methylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methyl]pyridin-2-one?
The canonical SMILES for 1-ethyl-4-hydroxy-6-methyl-3-[(4-methylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methyl]pyridin-2-one is CCn1c(C)cc(O)c(C(c2ccc(SC)cc2)N2CCN(c3ccccc3)CC2)c1=O.
What is the InChIKey of 1-ethyl-4-hydroxy-6-methyl-3-[(4-methylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methyl]pyridin-2-one?
The InChIKey is SXLQNSIIEHMBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2S/c1-4-29-19(2)18-23(30)24(26(29)31)25(20-10-12-22(32-3)13-11-20)28-16-14-27(15-17-28)21-8-6-5-7-9-21/h5-13,18,25,30H,4,14-17H2,1-3H3.
What are the key properties of 1-ethyl-4-hydroxy-6-methyl-3-[(4-methylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methyl]pyridin-2-one?
1-ethyl-4-hydroxy-6-methyl-3-[(4-methylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methyl]pyridin-2-one has a molecular weight of 449.62 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-hydroxy-6-methyl-3-[(4-methylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methyl]pyridin-2-one is sourced from PubChem (CID 54729067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).