4-ethyl-1-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-methylpiperidine-2,6-dione

C20H29N3O5S — CID 9234930

IUPAC4-ethyl-1-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-methylpiperidine-2,6-dione
SMILESCCC1(C)CC(=O)N(CN2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)C(=O)C1
InChIInChI=1S/C20H29N3O5S/c1-4-20(2)13-18(24)23(19(25)14-20)15-21-9-11-22(12-10-21)29(26,27)17-7-5-16(28-3)6-8-17/h5-8H,4,9-15H2,1-3H3
InChIKeyVBAKAEXXFMCTGU-UHFFFAOYSA-N
MW423.54 g/mol
LogP1.52
Rot. Bonds6

About 4-ethyl-1-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-methylpiperidine-2,6-dione

4-ethyl-1-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-methylpiperidine-2,6-dione (PubChem CID 9234930) has the molecular formula C20H29N3O5S and a molecular weight of 423.54 g/mol. Its IUPAC name is 4-ethyl-1-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name4-ethyl-1-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-methylpiperidine-2,6-dione
PubChem CID9234930
Molecular FormulaC20H29N3O5S
Molecular Weight423.54 g/mol
Exact Mass423.18
IUPAC Name4-ethyl-1-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-methylpiperidine-2,6-dione
SMILESCCC1(C)CC(=O)N(CN2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)C(=O)C1
InChIInChI=1S/C20H29N3O5S/c1-4-20(2)13-18(24)23(19(25)14-20)15-21-9-11-22(12-10-21)29(26,27)17-7-5-16(28-3)6-8-17/h5-8H,4,9-15H2,1-3H3
InChIKeyVBAKAEXXFMCTGU-UHFFFAOYSA-N
XLogP1.52
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 843240
1-(4-ethylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684101
4-ethyl-2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-triazole-3-thione
CID 9234946
1-(4-ethoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
CID 38253871
1-[(2R)-butan-2-yl]-4-(4-methoxyphenyl)sulfonylpiperazine
CID 7130162
1-(2-bromoethyl)-4-(4-methoxyphenyl)sulfonyl-1,4-diazepane
CID 80677457
2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 9243588
(5R)-3-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 31939946
6,7-dimethoxy-2-[3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propyl]-3-methylphthalazine-1,4-dione
CID 110189054
1-ethyl-4-[4-(2-methoxyphenoxy)phenyl]sulfonylpiperazine
CID 1190535
4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]sulfonylbenzonitrile
CID 26667752
ethene;1-(4-methoxyphenyl)sulfonylpiperidin-4-one
CID 67569957

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-methylpiperidine-2,6-dione?
The IUPAC name of 4-ethyl-1-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-methylpiperidine-2,6-dione (CID 9234930) is 4-ethyl-1-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-methylpiperidine-2,6-dione.
What is the SMILES notation for 4-ethyl-1-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-methylpiperidine-2,6-dione?
The canonical SMILES for 4-ethyl-1-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-methylpiperidine-2,6-dione is CCC1(C)CC(=O)N(CN2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)C(=O)C1.
What is the InChIKey of 4-ethyl-1-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-methylpiperidine-2,6-dione?
The InChIKey is VBAKAEXXFMCTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O5S/c1-4-20(2)13-18(24)23(19(25)14-20)15-21-9-11-22(12-10-21)29(26,27)17-7-5-16(28-3)6-8-17/h5-8H,4,9-15H2,1-3H3.
What are the key properties of 4-ethyl-1-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-methylpiperidine-2,6-dione?
4-ethyl-1-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-methylpiperidine-2,6-dione has a molecular weight of 423.54 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-methylpiperidine-2,6-dione is sourced from PubChem (CID 9234930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).