4-[[4-[(4-chlorophenyl)methoxy]phenyl]methylsulfonyl]-N-hydroxy-1-methylpiperidine-4-carboxamide

C21H25ClN2O5S — CID 10138948

IUPAC4-[[4-[(4-chlorophenyl)methoxy]phenyl]methylsulfonyl]-N-hydroxy-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)NO)(S(=O)(=O)Cc2ccc(OCc3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C21H25ClN2O5S/c1-24-12-10-21(11-13-24,20(25)23-26)30(27,28)15-17-4-8-19(9-5-17)29-14-16-2-6-18(22)7-3-16/h2-9,26H,10-15H2,1H3,(H,23,25)
InChIKeyFWRRUZVKNNPANQ-UHFFFAOYSA-N
MW452.96 g/mol
LogP2.80
Rot. Bonds7

About 4-[[4-[(4-chlorophenyl)methoxy]phenyl]methylsulfonyl]-N-hydroxy-1-methylpiperidine-4-carboxamide

4-[[4-[(4-chlorophenyl)methoxy]phenyl]methylsulfonyl]-N-hydroxy-1-methylpiperidine-4-carboxamide (PubChem CID 10138948) has the molecular formula C21H25ClN2O5S and a molecular weight of 452.96 g/mol. Its IUPAC name is 4-[[4-[(4-chlorophenyl)methoxy]phenyl]methylsulfonyl]-N-hydroxy-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name4-[[4-[(4-chlorophenyl)methoxy]phenyl]methylsulfonyl]-N-hydroxy-1-methylpiperidine-4-carboxamide
PubChem CID10138948
Molecular FormulaC21H25ClN2O5S
Molecular Weight452.96 g/mol
Exact Mass452.12
IUPAC Name4-[[4-[(4-chlorophenyl)methoxy]phenyl]methylsulfonyl]-N-hydroxy-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)NO)(S(=O)(=O)Cc2ccc(OCc3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C21H25ClN2O5S/c1-24-12-10-21(11-13-24,20(25)23-26)30(27,28)15-17-4-8-19(9-5-17)29-14-16-2-6-18(22)7-3-16/h2-9,26H,10-15H2,1H3,(H,23,25)
InChIKeyFWRRUZVKNNPANQ-UHFFFAOYSA-N
XLogP2.80
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.96
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-4-[(4-methoxyphenyl)methylsulfonyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 10203115
1-butyl-N-hydroxy-4-[[4-(3-methylbutoxy)phenyl]methylsulfonyl]piperidine-4-carboxamide
CID 10160482
1-benzyl-4-[[4-(2-ethylbutoxy)phenyl]methylsulfonyl]-N-hydroxypiperidine-4-carboxamide
CID 10277997
4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxy-1-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 11734162
N-hydroxy-1-methyl-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 11589972
1-[4-[(4-chlorophenyl)methoxy]phenyl]propan-2-one
CID 13065274
4-[(4-chlorophenoxy)methyl]-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]benzamide
CID 118711000
4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxy-1-prop-2-ynylpiperidine-4-carboxamide
CID 22485255
[4-[(4-chlorophenyl)methoxy]phenyl] hydrogen carbonate
CID 146594775
propan-2-yl 4-[(4-chlorophenyl)methoxy]benzoate
CID 82186223
4-[(4-chlorophenoxy)methyl]-N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)benzohydrazide
CID 46651058
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290745

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(4-chlorophenyl)methoxy]phenyl]methylsulfonyl]-N-hydroxy-1-methylpiperidine-4-carboxamide?
The IUPAC name of 4-[[4-[(4-chlorophenyl)methoxy]phenyl]methylsulfonyl]-N-hydroxy-1-methylpiperidine-4-carboxamide (CID 10138948) is 4-[[4-[(4-chlorophenyl)methoxy]phenyl]methylsulfonyl]-N-hydroxy-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for 4-[[4-[(4-chlorophenyl)methoxy]phenyl]methylsulfonyl]-N-hydroxy-1-methylpiperidine-4-carboxamide?
The canonical SMILES for 4-[[4-[(4-chlorophenyl)methoxy]phenyl]methylsulfonyl]-N-hydroxy-1-methylpiperidine-4-carboxamide is CN1CCC(C(=O)NO)(S(=O)(=O)Cc2ccc(OCc3ccc(Cl)cc3)cc2)CC1.
What is the InChIKey of 4-[[4-[(4-chlorophenyl)methoxy]phenyl]methylsulfonyl]-N-hydroxy-1-methylpiperidine-4-carboxamide?
The InChIKey is FWRRUZVKNNPANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O5S/c1-24-12-10-21(11-13-24,20(25)23-26)30(27,28)15-17-4-8-19(9-5-17)29-14-16-2-6-18(22)7-3-16/h2-9,26H,10-15H2,1H3,(H,23,25).
What are the key properties of 4-[[4-[(4-chlorophenyl)methoxy]phenyl]methylsulfonyl]-N-hydroxy-1-methylpiperidine-4-carboxamide?
4-[[4-[(4-chlorophenyl)methoxy]phenyl]methylsulfonyl]-N-hydroxy-1-methylpiperidine-4-carboxamide has a molecular weight of 452.96 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(4-chlorophenyl)methoxy]phenyl]methylsulfonyl]-N-hydroxy-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 10138948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).