1-[(3-methoxyphenyl)methyl]-3-(4-phenylpiperazin-1-yl)sulfonylpyridin-2-one

C23H25N3O4S — CID 53161861

IUPAC1-[(3-methoxyphenyl)methyl]-3-(4-phenylpiperazin-1-yl)sulfonylpyridin-2-one
SMILESCOc1cccc(Cn2cccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)c2=O)c1
InChIInChI=1S/C23H25N3O4S/c1-30-21-10-5-7-19(17-21)18-25-12-6-11-22(23(25)27)31(28,29)26-15-13-24(14-16-26)20-8-3-2-4-9-20/h2-12,17H,13-16,18H2,1H3
InChIKeyJJVZDACSYZRWCY-UHFFFAOYSA-N
MW439.54 g/mol
LogP2.42
Rot. Bonds6

About 1-[(3-methoxyphenyl)methyl]-3-(4-phenylpiperazin-1-yl)sulfonylpyridin-2-one

1-[(3-methoxyphenyl)methyl]-3-(4-phenylpiperazin-1-yl)sulfonylpyridin-2-one (PubChem CID 53161861) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-3-(4-phenylpiperazin-1-yl)sulfonylpyridin-2-one.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-3-(4-phenylpiperazin-1-yl)sulfonylpyridin-2-one
PubChem CID53161861
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC Name1-[(3-methoxyphenyl)methyl]-3-(4-phenylpiperazin-1-yl)sulfonylpyridin-2-one
SMILESCOc1cccc(Cn2cccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)c2=O)c1
InChIInChI=1S/C23H25N3O4S/c1-30-21-10-5-7-19(17-21)18-25-12-6-11-22(23(25)27)31(28,29)26-15-13-24(14-16-26)20-8-3-2-4-9-20/h2-12,17H,13-16,18H2,1H3
InChIKeyJJVZDACSYZRWCY-UHFFFAOYSA-N
XLogP2.42
TPSA71.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-methoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113077373
1-(2-fluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3799087
3-bromo-1-[(3-methoxyphenyl)methyl]pyridin-2-one
CID 114761033
1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3853607
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
N-[(3-methoxyphenyl)methyl]-N-methyl-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 24687741
1-(4-methoxyphenyl)-4-(2-methoxyphenyl)sulfonylpiperazine
CID 51109656
5-(azepan-1-ylsulfonyl)-1-[(3-methoxyphenyl)methyl]pyridin-2-one
CID 53170579
1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenylpiperazine
CID 775526
1-(2-fluorophenyl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazin-4-ium
CID 8749202
1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 17378962
4-[(3-methoxyphenyl)methyl]-1-phenyl-1,2,4-triazolidine-3,5-dione
CID 4791207

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-3-(4-phenylpiperazin-1-yl)sulfonylpyridin-2-one?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-3-(4-phenylpiperazin-1-yl)sulfonylpyridin-2-one (CID 53161861) is 1-[(3-methoxyphenyl)methyl]-3-(4-phenylpiperazin-1-yl)sulfonylpyridin-2-one.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-3-(4-phenylpiperazin-1-yl)sulfonylpyridin-2-one?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-3-(4-phenylpiperazin-1-yl)sulfonylpyridin-2-one is COc1cccc(Cn2cccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)c2=O)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-3-(4-phenylpiperazin-1-yl)sulfonylpyridin-2-one?
The InChIKey is JJVZDACSYZRWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-30-21-10-5-7-19(17-21)18-25-12-6-11-22(23(25)27)31(28,29)26-15-13-24(14-16-26)20-8-3-2-4-9-20/h2-12,17H,13-16,18H2,1H3.
What are the key properties of 1-[(3-methoxyphenyl)methyl]-3-(4-phenylpiperazin-1-yl)sulfonylpyridin-2-one?
1-[(3-methoxyphenyl)methyl]-3-(4-phenylpiperazin-1-yl)sulfonylpyridin-2-one has a molecular weight of 439.54 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-3-(4-phenylpiperazin-1-yl)sulfonylpyridin-2-one is sourced from PubChem (CID 53161861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).