4-[4-(1,3-benzodioxol-5-yloxy)phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;hydrochloride

C22H27ClN2O8S — CID 169424009

IUPAC4-[4-(1,3-benzodioxol-5-yloxy)phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc4c(c3)OCO4)cc2)CC1.Cl
InChIInChI=1S/C22H26N2O8S.ClH/c1-29-13-12-24-10-8-22(9-11-24,21(25)23-26)33(27,28)18-5-2-16(3-6-18)32-17-4-7-19-20(14-17)31-15-30-19;/h2-7,14,26H,8-13,15H2,1H3,(H,23,25);1H
InChIKeyFOYMIYHRQAXPAT-UHFFFAOYSA-N
MW514.98 g/mol
LogP2.39
Rot. Bonds8

About 4-[4-(1,3-benzodioxol-5-yloxy)phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;hydrochloride

4-[4-(1,3-benzodioxol-5-yloxy)phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 169424009) has the molecular formula C22H27ClN2O8S and a molecular weight of 514.98 g/mol. Its IUPAC name is 4-[4-(1,3-benzodioxol-5-yloxy)phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-[4-(1,3-benzodioxol-5-yloxy)phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID169424009
Molecular FormulaC22H27ClN2O8S
Molecular Weight514.98 g/mol
Exact Mass514.12
IUPAC Name4-[4-(1,3-benzodioxol-5-yloxy)phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc4c(c3)OCO4)cc2)CC1.Cl
InChIInChI=1S/C22H26N2O8S.ClH/c1-29-13-12-24-10-8-22(9-11-24,21(25)23-26)33(27,28)18-5-2-16(3-6-18)32-17-4-7-19-20(14-17)31-15-30-19;/h2-7,14,26H,8-13,15H2,1H3,(H,23,25);1H
InChIKeyFOYMIYHRQAXPAT-UHFFFAOYSA-N
XLogP2.39
TPSA123.63 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.98
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[4-(1,3-benzodioxol-5-yloxy)phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;hydrochloride with MolForge

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Related Compounds

1-acetyl-4-[4-(1,3-benzodioxol-5-yloxy)phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide;hydrochloride
CID 169429684
N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(trifluoromethylsulfanyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride
CID 172742819
N-hydroxy-1-(2-methoxyethyl)-4-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 142247511
N-hydroxy-1-(2-methoxyethyl)-4-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 158009034
4-[4-(1,3-benzodioxol-5-yloxy)phenyl]sulfonyl-1-prop-2-ynylpiperidine-4-carboxylic acid
CID 46938516
N-hydroxy-1-(2-methoxyethyl)-4-[4-[2-(3-pyridin-4-ylphenyl)ethoxy]phenyl]sulfonylpiperidine-4-carboxamide;dihydrochloride
CID 162334808
4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxy-1-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 11734162
N-hydroxy-1-propan-2-yl-4-[4-(4-propan-2-yloxyphenoxy)phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride
CID 172866930
4-[4-[3-[3-(4-cyanophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide
CID 20620470
N-hydroxy-1-(2-methoxyethyl)-4-[4-[3-[3-[2-methyl-4-(3-methylbutyl)phenyl]-1,2,4-oxadiazol-5-yl]propoxy]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride
CID 169424251
1-O-tert-butyl 4-O-ethyl 4-[4-(1,3-benzodioxol-5-yloxy)phenyl]sulfonylpiperidine-1,4-dicarboxylate
CID 46939852
N-hydroxy-1-(2-methoxyethyl)-4-[4-[3-[5-(2-methoxyphenyl)tetrazol-2-yl]propoxy]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride
CID 169425374

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,3-benzodioxol-5-yloxy)phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 4-[4-(1,3-benzodioxol-5-yloxy)phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;hydrochloride (CID 169424009) is 4-[4-(1,3-benzodioxol-5-yloxy)phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-[4-(1,3-benzodioxol-5-yloxy)phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-[4-(1,3-benzodioxol-5-yloxy)phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;hydrochloride is COCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc4c(c3)OCO4)cc2)CC1.Cl.
What is the InChIKey of 4-[4-(1,3-benzodioxol-5-yloxy)phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is FOYMIYHRQAXPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O8S.ClH/c1-29-13-12-24-10-8-22(9-11-24,21(25)23-26)33(27,28)18-5-2-16(3-6-18)32-17-4-7-19-20(14-17)31-15-30-19;/h2-7,14,26H,8-13,15H2,1H3,(H,23,25);1H.
What are the key properties of 4-[4-(1,3-benzodioxol-5-yloxy)phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;hydrochloride?
4-[4-(1,3-benzodioxol-5-yloxy)phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 514.98 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,3-benzodioxol-5-yloxy)phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 169424009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).