N-hydroxy-4-[(4-methoxyphenyl)methylsulfonyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide

C22H28N2O5S — CID 10203115

IUPACN-hydroxy-4-[(4-methoxyphenyl)methylsulfonyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CS(=O)(=O)C2(C(=O)NO)CCN(Cc3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C22H28N2O5S/c1-17-3-5-18(6-4-17)15-24-13-11-22(12-14-24,21(25)23-26)30(27,28)16-19-7-9-20(29-2)10-8-19/h3-10,26H,11-16H2,1-2H3,(H,23,25)
InChIKeyLGNPQUVZNAGZMZ-UHFFFAOYSA-N
MW432.54 g/mol
LogP2.46
Rot. Bonds7

About N-hydroxy-4-[(4-methoxyphenyl)methylsulfonyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide

N-hydroxy-4-[(4-methoxyphenyl)methylsulfonyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 10203115) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is N-hydroxy-4-[(4-methoxyphenyl)methylsulfonyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[(4-methoxyphenyl)methylsulfonyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID10203115
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC NameN-hydroxy-4-[(4-methoxyphenyl)methylsulfonyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CS(=O)(=O)C2(C(=O)NO)CCN(Cc3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C22H28N2O5S/c1-17-3-5-18(6-4-17)15-24-13-11-22(12-14-24,21(25)23-26)30(27,28)16-19-7-9-20(29-2)10-8-19/h3-10,26H,11-16H2,1-2H3,(H,23,25)
InChIKeyLGNPQUVZNAGZMZ-UHFFFAOYSA-N
XLogP2.46
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 52.46
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

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
ethyl 4-(4-methoxyphenyl)sulfonyl-1-[(4-methylphenyl)methyl]piperidine-4-carboxylate
CID 3754898
N-hydroxy-1-[(4-methoxyphenyl)methyl]-4-(4-prop-2-ynoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 54140818
4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]piperidin-4-ol;hydrochloride
CID 42624389
1-butyl-N-hydroxy-4-[[4-(3-methylbutoxy)phenyl]methylsulfonyl]piperidine-4-carboxamide
CID 10160482
N-hydroxy-1-(2-methoxyethyl)-4-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 142247511
3-(4-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-1-one
CID 25236883
N-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 53284727
methyl 4-[[4-(4-but-2-ynoxyphenyl)sulfonyl-4-(hydroxycarbamoyl)piperidin-1-yl]methyl]benzoate
CID 11214204
N-hydroxy-1-(2-methoxyethyl)-4-[4-(4-methylphenoxy)piperidin-1-yl]sulfonylpiperidine-4-carboxamide
CID 59989399
methyl (3S)-3-fluoro-1-[(4-methoxyphenyl)methyl]pyrrolidine-3-carboxylate
CID 97160611

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(4-methoxyphenyl)methylsulfonyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-hydroxy-4-[(4-methoxyphenyl)methylsulfonyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide (CID 10203115) is N-hydroxy-4-[(4-methoxyphenyl)methylsulfonyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[(4-methoxyphenyl)methylsulfonyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[(4-methoxyphenyl)methylsulfonyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide is COc1ccc(CS(=O)(=O)C2(C(=O)NO)CCN(Cc3ccc(C)cc3)CC2)cc1.
What is the InChIKey of N-hydroxy-4-[(4-methoxyphenyl)methylsulfonyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is LGNPQUVZNAGZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-17-3-5-18(6-4-17)15-24-13-11-22(12-14-24,21(25)23-26)30(27,28)16-19-7-9-20(29-2)10-8-19/h3-10,26H,11-16H2,1-2H3,(H,23,25).
What are the key properties of N-hydroxy-4-[(4-methoxyphenyl)methylsulfonyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
N-hydroxy-4-[(4-methoxyphenyl)methylsulfonyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 432.54 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(4-methoxyphenyl)methylsulfonyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 10203115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).