[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate

C21H28N2O7S — CID 55474914

IUPAC[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCCCC2C(=O)OCC(=O)N2CCOC(C)C2)cc1
InChIInChI=1S/C21H28N2O7S/c1-15-13-22(11-12-29-15)20(25)14-30-21(26)19-5-3-4-10-23(19)31(27,28)18-8-6-17(7-9-18)16(2)24/h6-9,15,19H,3-5,10-14H2,1-2H3
InChIKeyJGZUVSLMJSBTQJ-UHFFFAOYSA-N
MW452.53 g/mol
LogP1.22
Rot. Bonds6

About [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate

[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate (PubChem CID 55474914) has the molecular formula C21H28N2O7S and a molecular weight of 452.53 g/mol. Its IUPAC name is [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate.

Molecular Properties

Compound Name[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate
PubChem CID55474914
Molecular FormulaC21H28N2O7S
Molecular Weight452.53 g/mol
Exact Mass452.16
IUPAC Name[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCCCC2C(=O)OCC(=O)N2CCOC(C)C2)cc1
InChIInChI=1S/C21H28N2O7S/c1-15-13-22(11-12-29-15)20(25)14-30-21(26)19-5-3-4-10-23(19)31(27,28)18-8-6-17(7-9-18)16(2)24/h6-9,15,19H,3-5,10-14H2,1-2H3
InChIKeyJGZUVSLMJSBTQJ-UHFFFAOYSA-N
XLogP1.22
TPSA110.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-oxopropyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate
CID 42978293
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate
CID 55310662
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate
CID 55310683
(4-nitrophenyl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate
CID 42990335
1-[1-(4-acetylphenyl)sulfonylpiperidin-2-yl]ethanone
CID 63845358
[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate
CID 55467473
(4,6-diamino-1,3,5-triazin-2-yl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate
CID 55391923
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 11918171
methyl 1-(4-acetylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 3866930
[2-(3-ethylanilino)-2-oxoethyl] 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate
CID 42978014
[2-[benzyl(ethyl)amino]-2-oxoethyl] 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate
CID 55310667
(3-chlorophenyl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate
CID 42986824

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate?
The IUPAC name of [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate (CID 55474914) is [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate.
What is the SMILES notation for [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate?
The canonical SMILES for [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate is CC(=O)c1ccc(S(=O)(=O)N2CCCCC2C(=O)OCC(=O)N2CCOC(C)C2)cc1.
What is the InChIKey of [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate?
The InChIKey is JGZUVSLMJSBTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O7S/c1-15-13-22(11-12-29-15)20(25)14-30-21(26)19-5-3-4-10-23(19)31(27,28)18-8-6-17(7-9-18)16(2)24/h6-9,15,19H,3-5,10-14H2,1-2H3.
What are the key properties of [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate?
[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate has a molecular weight of 452.53 g/mol, XLogP of 1.22, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate is sourced from PubChem (CID 55474914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).