1-(2-methoxyethyl)-4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperazine-2,3-dione

C19H27N3O5S — CID 20955369

IUPAC1-(2-methoxyethyl)-4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperazine-2,3-dione
SMILESCOCCN1CCN(C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C(=O)C1=O
InChIInChI=1S/C19H27N3O5S/c1-15-3-5-17(6-4-15)28(25,26)21-9-7-16(8-10-21)22-12-11-20(13-14-27-2)18(23)19(22)24/h3-6,16H,7-14H2,1-2H3
InChIKeyHEDFLFQKYBVSOZ-UHFFFAOYSA-N
MW409.51 g/mol
LogP0.47
Rot. Bonds6

About 1-(2-methoxyethyl)-4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperazine-2,3-dione

1-(2-methoxyethyl)-4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperazine-2,3-dione (PubChem CID 20955369) has the molecular formula C19H27N3O5S and a molecular weight of 409.51 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperazine-2,3-dione.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperazine-2,3-dione
PubChem CID20955369
Molecular FormulaC19H27N3O5S
Molecular Weight409.51 g/mol
Exact Mass409.17
IUPAC Name1-(2-methoxyethyl)-4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperazine-2,3-dione
SMILESCOCCN1CCN(C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C(=O)C1=O
InChIInChI=1S/C19H27N3O5S/c1-15-3-5-17(6-4-15)28(25,26)21-9-7-16(8-10-21)22-12-11-20(13-14-27-2)18(23)19(22)24/h3-6,16H,7-14H2,1-2H3
InChIKeyHEDFLFQKYBVSOZ-UHFFFAOYSA-N
XLogP0.47
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-[(4-methylphenyl)methyl]imidazolidin-2-one
CID 53083165
1-benzyl-4-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]piperazine-2,3-dione
CID 53084948
1-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]-4-prop-2-enylpiperazine-2,3-dione
CID 53053385
1-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]-4-prop-2-enylpiperazine-2,3-dione
CID 53084933
methyl 2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetate
CID 11609299
1-[(3-fluorophenyl)methyl]-4-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]piperazine-2,3-dione
CID 53004248
4-methyl-N-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide
CID 998279
2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxyacetic acid
CID 63876826
4-(2-methoxyethyl)-1-(4-methylphenyl)sulfonyl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 131697588
3-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine
CID 108781063
1-[(4-fluorophenyl)methyl]-4-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]piperazine-2,3-dione
CID 53023714

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperazine-2,3-dione?
The IUPAC name of 1-(2-methoxyethyl)-4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperazine-2,3-dione (CID 20955369) is 1-(2-methoxyethyl)-4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperazine-2,3-dione.
What is the SMILES notation for 1-(2-methoxyethyl)-4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperazine-2,3-dione?
The canonical SMILES for 1-(2-methoxyethyl)-4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperazine-2,3-dione is COCCN1CCN(C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C(=O)C1=O.
What is the InChIKey of 1-(2-methoxyethyl)-4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperazine-2,3-dione?
The InChIKey is HEDFLFQKYBVSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5S/c1-15-3-5-17(6-4-15)28(25,26)21-9-7-16(8-10-21)22-12-11-20(13-14-27-2)18(23)19(22)24/h3-6,16H,7-14H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperazine-2,3-dione?
1-(2-methoxyethyl)-4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperazine-2,3-dione has a molecular weight of 409.51 g/mol, XLogP of 0.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperazine-2,3-dione is sourced from PubChem (CID 20955369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).