2-[1-benzyl-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidin-4-yl]-N-hydroxyacetamide

C26H32F3N3O5S — CID 139931403

IUPAC2-[1-benzyl-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidin-4-yl]-N-hydroxyacetamide
SMILESO=C(CC1(S(=O)(=O)N2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)CCN(Cc2ccccc2)CC1)NO
InChIInChI=1S/C26H32F3N3O5S/c27-26(28,29)21-6-8-22(9-7-21)37-23-10-14-32(15-11-23)38(35,36)25(18-24(33)30-34)12-16-31(17-13-25)19-20-4-2-1-3-5-20/h1-9,23,34H,10-19H2,(H,30,33)
InChIKeyWOUAKAIVEZLCOB-UHFFFAOYSA-N
MW555.62 g/mol
LogP3.81
Rot. Bonds8

About 2-[1-benzyl-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidin-4-yl]-N-hydroxyacetamide

2-[1-benzyl-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidin-4-yl]-N-hydroxyacetamide (PubChem CID 139931403) has the molecular formula C26H32F3N3O5S and a molecular weight of 555.62 g/mol. Its IUPAC name is 2-[1-benzyl-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidin-4-yl]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[1-benzyl-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidin-4-yl]-N-hydroxyacetamide
PubChem CID139931403
Molecular FormulaC26H32F3N3O5S
Molecular Weight555.62 g/mol
Exact Mass555.20
IUPAC Name2-[1-benzyl-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidin-4-yl]-N-hydroxyacetamide
SMILESO=C(CC1(S(=O)(=O)N2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)CCN(Cc2ccccc2)CC1)NO
InChIInChI=1S/C26H32F3N3O5S/c27-26(28,29)21-6-8-22(9-7-21)37-23-10-14-32(15-11-23)38(35,36)25(18-24(33)30-34)12-16-31(17-13-25)19-20-4-2-1-3-5-20/h1-9,23,34H,10-19H2,(H,30,33)
InChIKeyWOUAKAIVEZLCOB-UHFFFAOYSA-N
XLogP3.81
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.62
LogP ≤ 53.81
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-cyclopropyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide
CID 22052601
N-hydroxy-1-(pyrimidin-1-ium-1-ylmethyl)-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide
CID 23377578
4-[4-[4-[4-(trifluoromethyl)phenoxy]phenoxy]piperidin-1-yl]sulfonyloxane-4-carboxylic acid
CID 18723195
N-hydroxy-1-pyrimidin-2-yl-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide
CID 22052587
2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzoic acid
CID 20613333
1-pyrimidin-2-yl-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxylic acid
CID 22052582
N-(1-benzylpiperidin-4-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 46488361
4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide
CID 142651702
N-(1-benzylpiperidin-4-yl)-2-chloro-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide
CID 24995350
N-hydroxy-1-[(4-hydroxyphenyl)iminomethyl]-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride
CID 139931376
1-benzyl-N-hydroxy-4-[methyl-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]oxysulfanylamino]piperidine-4-carboxamide
CID 142952217
methyl 1-pyrimidin-2-yl-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxylate
CID 22052652

Frequently Asked Questions

What is the IUPAC name of 2-[1-benzyl-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidin-4-yl]-N-hydroxyacetamide?
The IUPAC name of 2-[1-benzyl-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidin-4-yl]-N-hydroxyacetamide (CID 139931403) is 2-[1-benzyl-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidin-4-yl]-N-hydroxyacetamide.
What is the SMILES notation for 2-[1-benzyl-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidin-4-yl]-N-hydroxyacetamide?
The canonical SMILES for 2-[1-benzyl-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidin-4-yl]-N-hydroxyacetamide is O=C(CC1(S(=O)(=O)N2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)CCN(Cc2ccccc2)CC1)NO.
What is the InChIKey of 2-[1-benzyl-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidin-4-yl]-N-hydroxyacetamide?
The InChIKey is WOUAKAIVEZLCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F3N3O5S/c27-26(28,29)21-6-8-22(9-7-21)37-23-10-14-32(15-11-23)38(35,36)25(18-24(33)30-34)12-16-31(17-13-25)19-20-4-2-1-3-5-20/h1-9,23,34H,10-19H2,(H,30,33).
What are the key properties of 2-[1-benzyl-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidin-4-yl]-N-hydroxyacetamide?
2-[1-benzyl-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidin-4-yl]-N-hydroxyacetamide has a molecular weight of 555.62 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzyl-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidin-4-yl]-N-hydroxyacetamide is sourced from PubChem (CID 139931403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).