1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione

C18H25N3O5S — CID 27456819

IUPAC1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione
SMILESCOc1ccc(N2CCN(S(=O)(=O)CCN3C(=O)CCCC3=O)CC2)cc1
InChIInChI=1S/C18H25N3O5S/c1-26-16-7-5-15(6-8-16)19-9-11-20(12-10-19)27(24,25)14-13-21-17(22)3-2-4-18(21)23/h5-8H,2-4,9-14H2,1H3
InChIKeyWAMURVHJSQJRDA-UHFFFAOYSA-N
MW395.48 g/mol
LogP0.69
Rot. Bonds6

About 1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione

1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione (PubChem CID 27456819) has the molecular formula C18H25N3O5S and a molecular weight of 395.48 g/mol. Its IUPAC name is 1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione
PubChem CID27456819
Molecular FormulaC18H25N3O5S
Molecular Weight395.48 g/mol
Exact Mass395.15
IUPAC Name1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione
SMILESCOc1ccc(N2CCN(S(=O)(=O)CCN3C(=O)CCCC3=O)CC2)cc1
InChIInChI=1S/C18H25N3O5S/c1-26-16-7-5-15(6-8-16)19-9-11-20(12-10-19)27(24,25)14-13-21-17(22)3-2-4-18(21)23/h5-8H,2-4,9-14H2,1H3
InChIKeyWAMURVHJSQJRDA-UHFFFAOYSA-N
XLogP0.69
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]piperidine-2,6-dione
CID 27377683
1-(3-chloropropylsulfonyl)-4-(4-methoxyphenyl)piperazine
CID 43654044
1-(4-fluorophenyl)-4-[2-(4-methoxyphenoxy)ethylsulfonyl]piperazine
CID 90518310
1-[2-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione
CID 122336212
1-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione
CID 27377700
1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one;hydrochloride
CID 118727900
2-(4-methoxyphenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 22578878
1-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine
CID 1168311
4-chloro-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]benzenesulfonamide
CID 22578930
1-[(2S)-butan-2-yl]sulfonyl-4-(4-methoxyphenyl)piperazine
CID 97263321
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]-3,3-dimethylbutanamide
CID 42175622
1-(4-methoxyphenyl)-4-(2-methoxyphenyl)sulfonylpiperazine
CID 51109656

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione?
The IUPAC name of 1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione (CID 27456819) is 1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione?
The canonical SMILES for 1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione is COc1ccc(N2CCN(S(=O)(=O)CCN3C(=O)CCCC3=O)CC2)cc1.
What is the InChIKey of 1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione?
The InChIKey is WAMURVHJSQJRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5S/c1-26-16-7-5-15(6-8-16)19-9-11-20(12-10-19)27(24,25)14-13-21-17(22)3-2-4-18(21)23/h5-8H,2-4,9-14H2,1H3.
What are the key properties of 1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione?
1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione has a molecular weight of 395.48 g/mol, XLogP of 0.69, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione is sourced from PubChem (CID 27456819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).