1-benzyl-4-[[4-(2-ethylbutoxy)phenyl]methylsulfonyl]-N-hydroxypiperidine-4-carboxamide

C26H36N2O5S — CID 10277997

IUPAC1-benzyl-4-[[4-(2-ethylbutoxy)phenyl]methylsulfonyl]-N-hydroxypiperidine-4-carboxamide
SMILESCCC(CC)COc1ccc(CS(=O)(=O)C2(C(=O)NO)CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C26H36N2O5S/c1-3-21(4-2)19-33-24-12-10-23(11-13-24)20-34(31,32)26(25(29)27-30)14-16-28(17-15-26)18-22-8-6-5-7-9-22/h5-13,21,30H,3-4,14-20H2,1-2H3,(H,27,29)
InChIKeyPEDSKLOAEBSSOK-UHFFFAOYSA-N
MW488.65 g/mol
LogP3.96
Rot. Bonds11

About 1-benzyl-4-[[4-(2-ethylbutoxy)phenyl]methylsulfonyl]-N-hydroxypiperidine-4-carboxamide

1-benzyl-4-[[4-(2-ethylbutoxy)phenyl]methylsulfonyl]-N-hydroxypiperidine-4-carboxamide (PubChem CID 10277997) has the molecular formula C26H36N2O5S and a molecular weight of 488.65 g/mol. Its IUPAC name is 1-benzyl-4-[[4-(2-ethylbutoxy)phenyl]methylsulfonyl]-N-hydroxypiperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-4-[[4-(2-ethylbutoxy)phenyl]methylsulfonyl]-N-hydroxypiperidine-4-carboxamide
PubChem CID10277997
Molecular FormulaC26H36N2O5S
Molecular Weight488.65 g/mol
Exact Mass488.23
IUPAC Name1-benzyl-4-[[4-(2-ethylbutoxy)phenyl]methylsulfonyl]-N-hydroxypiperidine-4-carboxamide
SMILESCCC(CC)COc1ccc(CS(=O)(=O)C2(C(=O)NO)CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C26H36N2O5S/c1-3-21(4-2)19-33-24-12-10-23(11-13-24)20-34(31,32)26(25(29)27-30)14-16-28(17-15-26)18-22-8-6-5-7-9-22/h5-13,21,30H,3-4,14-20H2,1-2H3,(H,27,29)
InChIKeyPEDSKLOAEBSSOK-UHFFFAOYSA-N
XLogP3.96
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.65
LogP ≤ 53.96
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
ethyl 1-benzyl-4-ethylsulfonylpiperidine-4-carboxylate
CID 99997104
N-hydroxy-1-[(4-methoxyphenyl)methyl]-4-(4-prop-2-ynoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 54140818
ethyl 1-benzyl-4-[4-(3-methylbutoxy)phenyl]sulfonylpiperidine-4-carboxylate
CID 10906839
1-[(4-bromophenyl)methyl]-4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxypiperidine-4-carboxamide;hydrochloride
CID 11261471
N-[7-[[4-(2,2-difluoroethoxy)phenyl]methyl]-7-azaspiro[3.5]nonan-2-yl]ethanesulfonamide;2,2,2-trifluoroacetic acid
CID 155865022
4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxy-1-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 11734162
methyl 2-(1-benzyl-4-hydroxypiperidin-4-yl)butanoate
CID 62394914
methyl 4-[[4-(4-but-2-ynoxyphenyl)sulfonyl-4-(hydroxycarbamoyl)piperidin-1-yl]methyl]benzoate
CID 11214204
methyl 4-amino-1-benzylpiperidine-4-carboxylate
CID 3044632
1-benzyl-4-(butan-2-ylamino)piperidine-4-carboxylic acid
CID 61024423

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[[4-(2-ethylbutoxy)phenyl]methylsulfonyl]-N-hydroxypiperidine-4-carboxamide?
The IUPAC name of 1-benzyl-4-[[4-(2-ethylbutoxy)phenyl]methylsulfonyl]-N-hydroxypiperidine-4-carboxamide (CID 10277997) is 1-benzyl-4-[[4-(2-ethylbutoxy)phenyl]methylsulfonyl]-N-hydroxypiperidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-4-[[4-(2-ethylbutoxy)phenyl]methylsulfonyl]-N-hydroxypiperidine-4-carboxamide?
The canonical SMILES for 1-benzyl-4-[[4-(2-ethylbutoxy)phenyl]methylsulfonyl]-N-hydroxypiperidine-4-carboxamide is CCC(CC)COc1ccc(CS(=O)(=O)C2(C(=O)NO)CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-[[4-(2-ethylbutoxy)phenyl]methylsulfonyl]-N-hydroxypiperidine-4-carboxamide?
The InChIKey is PEDSKLOAEBSSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O5S/c1-3-21(4-2)19-33-24-12-10-23(11-13-24)20-34(31,32)26(25(29)27-30)14-16-28(17-15-26)18-22-8-6-5-7-9-22/h5-13,21,30H,3-4,14-20H2,1-2H3,(H,27,29).
What are the key properties of 1-benzyl-4-[[4-(2-ethylbutoxy)phenyl]methylsulfonyl]-N-hydroxypiperidine-4-carboxamide?
1-benzyl-4-[[4-(2-ethylbutoxy)phenyl]methylsulfonyl]-N-hydroxypiperidine-4-carboxamide has a molecular weight of 488.65 g/mol, XLogP of 3.96, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[[4-(2-ethylbutoxy)phenyl]methylsulfonyl]-N-hydroxypiperidine-4-carboxamide is sourced from PubChem (CID 10277997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).