methyl 2-(4-piperidin-1-ylsulfonylphenoxy)acetate

C14H19NO5S — CID 1082948

IUPACmethyl 2-(4-piperidin-1-ylsulfonylphenoxy)acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C14H19NO5S/c1-19-14(16)11-20-12-5-7-13(8-6-12)21(17,18)15-9-3-2-4-10-15/h5-8H,2-4,9-11H2,1H3
InChIKeyOJNUWVKSLLGNBF-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.41
Rot. Bonds5

About methyl 2-(4-piperidin-1-ylsulfonylphenoxy)acetate

methyl 2-(4-piperidin-1-ylsulfonylphenoxy)acetate (PubChem CID 1082948) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is methyl 2-(4-piperidin-1-ylsulfonylphenoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(4-piperidin-1-ylsulfonylphenoxy)acetate
PubChem CID1082948
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Namemethyl 2-(4-piperidin-1-ylsulfonylphenoxy)acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C14H19NO5S/c1-19-14(16)11-20-12-5-7-13(8-6-12)21(17,18)15-9-3-2-4-10-15/h5-8H,2-4,9-11H2,1H3
InChIKeyOJNUWVKSLLGNBF-UHFFFAOYSA-N
XLogP1.41
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-(4-piperidin-1-ylsulfonylphenoxy)acetate 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-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-(4-methoxyphenoxy)acetate
CID 23961972
N-butan-2-yl-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 4695524
2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-(2,2-dimethylpropyl)acetamide
CID 100800978
methyl 2-[4-(4-benzylpiperazin-4-ium-1-yl)sulfonylphenoxy]acetate
CID 2193886
N-(2-hydroxyethyl)-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 3544806
2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43875081
2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 43873489
N-(2,6-dichlorophenyl)-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 3987191
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-chlorophenoxy)acetamide
CID 1010577
dimethyl 5-[[2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 45372217
N-(4-piperidin-1-ylsulfonylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1298043
N-(2-methylsulfanylphenyl)-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 2236404

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-piperidin-1-ylsulfonylphenoxy)acetate?
The IUPAC name of methyl 2-(4-piperidin-1-ylsulfonylphenoxy)acetate (CID 1082948) is methyl 2-(4-piperidin-1-ylsulfonylphenoxy)acetate.
What is the SMILES notation for methyl 2-(4-piperidin-1-ylsulfonylphenoxy)acetate?
The canonical SMILES for methyl 2-(4-piperidin-1-ylsulfonylphenoxy)acetate is COC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of methyl 2-(4-piperidin-1-ylsulfonylphenoxy)acetate?
The InChIKey is OJNUWVKSLLGNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-19-14(16)11-20-12-5-7-13(8-6-12)21(17,18)15-9-3-2-4-10-15/h5-8H,2-4,9-11H2,1H3.
What are the key properties of methyl 2-(4-piperidin-1-ylsulfonylphenoxy)acetate?
methyl 2-(4-piperidin-1-ylsulfonylphenoxy)acetate has a molecular weight of 313.38 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-piperidin-1-ylsulfonylphenoxy)acetate is sourced from PubChem (CID 1082948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).