1-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]-4-prop-2-enylpiperazine-2,3-dione

C19H25N3O5S — CID 53084933

IUPAC1-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]-4-prop-2-enylpiperazine-2,3-dione
SMILESC=CCN1CCN(C2CCN(S(=O)(=O)c3cccc(OC)c3)CC2)C(=O)C1=O
InChIInChI=1S/C19H25N3O5S/c1-3-9-20-12-13-22(19(24)18(20)23)15-7-10-21(11-8-15)28(25,26)17-6-4-5-16(14-17)27-2/h3-6,14-15H,1,7-13H2,2H3
InChIKeyWUXXWNJXTKEEGO-UHFFFAOYSA-N
MW407.49 g/mol
LogP0.71
Rot. Bonds6

About 1-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]-4-prop-2-enylpiperazine-2,3-dione

1-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]-4-prop-2-enylpiperazine-2,3-dione (PubChem CID 53084933) has the molecular formula C19H25N3O5S and a molecular weight of 407.49 g/mol. Its IUPAC name is 1-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]-4-prop-2-enylpiperazine-2,3-dione.

Molecular Properties

Compound Name1-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]-4-prop-2-enylpiperazine-2,3-dione
PubChem CID53084933
Molecular FormulaC19H25N3O5S
Molecular Weight407.49 g/mol
Exact Mass407.15
IUPAC Name1-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]-4-prop-2-enylpiperazine-2,3-dione
SMILESC=CCN1CCN(C2CCN(S(=O)(=O)c3cccc(OC)c3)CC2)C(=O)C1=O
InChIInChI=1S/C19H25N3O5S/c1-3-9-20-12-13-22(19(24)18(20)23)15-7-10-21(11-8-15)28(25,26)17-6-4-5-16(14-17)27-2/h3-6,14-15H,1,7-13H2,2H3
InChIKeyWUXXWNJXTKEEGO-UHFFFAOYSA-N
XLogP0.71
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]-4-[(4-methylphenyl)methyl]piperazine-2,3-dione
CID 53084939
1-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]-4-prop-2-enylpiperazine-2,3-dione
CID 53053373
1-[1-(2-ethylphenyl)sulfonylpiperidin-4-yl]-4-prop-2-enylpiperazine-2,3-dione
CID 53053394
1-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]-4-prop-2-enylpiperazine-2,3-dione
CID 53053385
1-benzyl-4-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]piperazine-2,3-dione
CID 53084948
1-(3-methoxyphenyl)sulfonyl-4-(4-methoxypiperidin-1-yl)piperidine
CID 90616602
N-[[(3S)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211982
N-[[(3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211401
ethane;1-(3-methoxyphenyl)sulfonylpiperidin-4-one
CID 143985284
4-cyclopropylidene-1-(3-methoxyphenyl)sulfonylpiperidine
CID 121187194
(3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol
CID 81258608
1-(3-methoxyphenyl)sulfonyl-4-propan-2-ylpiperazine
CID 91823993

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]-4-prop-2-enylpiperazine-2,3-dione?
The IUPAC name of 1-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]-4-prop-2-enylpiperazine-2,3-dione (CID 53084933) is 1-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]-4-prop-2-enylpiperazine-2,3-dione.
What is the SMILES notation for 1-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]-4-prop-2-enylpiperazine-2,3-dione?
The canonical SMILES for 1-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]-4-prop-2-enylpiperazine-2,3-dione is C=CCN1CCN(C2CCN(S(=O)(=O)c3cccc(OC)c3)CC2)C(=O)C1=O.
What is the InChIKey of 1-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]-4-prop-2-enylpiperazine-2,3-dione?
The InChIKey is WUXXWNJXTKEEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5S/c1-3-9-20-12-13-22(19(24)18(20)23)15-7-10-21(11-8-15)28(25,26)17-6-4-5-16(14-17)27-2/h3-6,14-15H,1,7-13H2,2H3.
What are the key properties of 1-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]-4-prop-2-enylpiperazine-2,3-dione?
1-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]-4-prop-2-enylpiperazine-2,3-dione has a molecular weight of 407.49 g/mol, XLogP of 0.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]-4-prop-2-enylpiperazine-2,3-dione is sourced from PubChem (CID 53084933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).