4-[3-[(4-methoxypiperidin-1-yl)sulfonylamino]phenyl]-4-oxobutanoic acid

C16H22N2O6S — CID 138032170

IUPAC4-[3-[(4-methoxypiperidin-1-yl)sulfonylamino]phenyl]-4-oxobutanoic acid
SMILESCOC1CCN(S(=O)(=O)Nc2cccc(C(=O)CCC(=O)O)c2)CC1
InChIInChI=1S/C16H22N2O6S/c1-24-14-7-9-18(10-8-14)25(22,23)17-13-4-2-3-12(11-13)15(19)5-6-16(20)21/h2-4,11,14,17H,5-10H2,1H3,(H,20,21)
InChIKeyGFASMWZRCNRDCG-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.50
Rot. Bonds8

About 4-[3-[(4-methoxypiperidin-1-yl)sulfonylamino]phenyl]-4-oxobutanoic acid

4-[3-[(4-methoxypiperidin-1-yl)sulfonylamino]phenyl]-4-oxobutanoic acid (PubChem CID 138032170) has the molecular formula C16H22N2O6S and a molecular weight of 370.43 g/mol. Its IUPAC name is 4-[3-[(4-methoxypiperidin-1-yl)sulfonylamino]phenyl]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[3-[(4-methoxypiperidin-1-yl)sulfonylamino]phenyl]-4-oxobutanoic acid
PubChem CID138032170
Molecular FormulaC16H22N2O6S
Molecular Weight370.43 g/mol
Exact Mass370.12
IUPAC Name4-[3-[(4-methoxypiperidin-1-yl)sulfonylamino]phenyl]-4-oxobutanoic acid
SMILESCOC1CCN(S(=O)(=O)Nc2cccc(C(=O)CCC(=O)O)c2)CC1
InChIInChI=1S/C16H22N2O6S/c1-24-14-7-9-18(10-8-14)25(22,23)17-13-4-2-3-12(11-13)15(19)5-6-16(20)21/h2-4,11,14,17H,5-10H2,1H3,(H,20,21)
InChIKeyGFASMWZRCNRDCG-UHFFFAOYSA-N
XLogP1.50
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-methoxypiperidin-1-yl)sulfonylamino]-5-methylbenzoic acid
CID 166242124
1-[3-(4-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-one
CID 60873455
5-chloro-2-[(4-methoxypiperidin-1-yl)sulfonylamino]benzoic acid
CID 167974624
4-[3-[(4-ethoxycarbonylphenyl)sulfonylamino]phenyl]-4-oxobutanoic acid
CID 71859116
1-(3-chlorophenyl)-3-(4-methoxypiperidin-1-yl)propan-1-one
CID 62628820
4-oxo-4-[3-[(2-phenylphenyl)sulfonylamino]phenyl]butanoic acid
CID 166231797
(2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-sulfonamide
CID 95337073
1-[3-(4-methoxypiperidin-1-yl)phenyl]propan-1-one
CID 70542722
methyl 3-[(2-methylpiperidin-1-yl)sulfonylamino]benzoate
CID 43624206
2-chloro-4-[(3-methoxyazetidin-1-yl)sulfonylamino]benzoic acid
CID 166208292
2-[(3-methoxycarbonylphenyl)sulfamoyl]acetic acid
CID 43361772
4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 28784299

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-methoxypiperidin-1-yl)sulfonylamino]phenyl]-4-oxobutanoic acid?
The IUPAC name of 4-[3-[(4-methoxypiperidin-1-yl)sulfonylamino]phenyl]-4-oxobutanoic acid (CID 138032170) is 4-[3-[(4-methoxypiperidin-1-yl)sulfonylamino]phenyl]-4-oxobutanoic acid.
What is the SMILES notation for 4-[3-[(4-methoxypiperidin-1-yl)sulfonylamino]phenyl]-4-oxobutanoic acid?
The canonical SMILES for 4-[3-[(4-methoxypiperidin-1-yl)sulfonylamino]phenyl]-4-oxobutanoic acid is COC1CCN(S(=O)(=O)Nc2cccc(C(=O)CCC(=O)O)c2)CC1.
What is the InChIKey of 4-[3-[(4-methoxypiperidin-1-yl)sulfonylamino]phenyl]-4-oxobutanoic acid?
The InChIKey is GFASMWZRCNRDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O6S/c1-24-14-7-9-18(10-8-14)25(22,23)17-13-4-2-3-12(11-13)15(19)5-6-16(20)21/h2-4,11,14,17H,5-10H2,1H3,(H,20,21).
What are the key properties of 4-[3-[(4-methoxypiperidin-1-yl)sulfonylamino]phenyl]-4-oxobutanoic acid?
4-[3-[(4-methoxypiperidin-1-yl)sulfonylamino]phenyl]-4-oxobutanoic acid has a molecular weight of 370.43 g/mol, XLogP of 1.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-methoxypiperidin-1-yl)sulfonylamino]phenyl]-4-oxobutanoic acid is sourced from PubChem (CID 138032170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).