N-hydroxy-1-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylcyclohexane-1-carboxamide

C19H25F3N2O6S — CID 142009576

IUPACN-hydroxy-1-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylcyclohexane-1-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)N2CCC(Oc3ccc(OC(F)(F)F)cc3)CC2)CCCCC1
InChIInChI=1S/C19H25F3N2O6S/c20-19(21,22)30-16-6-4-14(5-7-16)29-15-8-12-24(13-9-15)31(27,28)18(17(25)23-26)10-2-1-3-11-18/h4-7,15,26H,1-3,8-13H2,(H,23,25)
InChIKeyAQLQTWGMLGHJSS-UHFFFAOYSA-N
MW466.48 g/mol
LogP2.97
Rot. Bonds6

About N-hydroxy-1-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylcyclohexane-1-carboxamide

N-hydroxy-1-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylcyclohexane-1-carboxamide (PubChem CID 142009576) has the molecular formula C19H25F3N2O6S and a molecular weight of 466.48 g/mol. Its IUPAC name is N-hydroxy-1-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylcyclohexane-1-carboxamide
PubChem CID142009576
Molecular FormulaC19H25F3N2O6S
Molecular Weight466.48 g/mol
Exact Mass466.14
IUPAC NameN-hydroxy-1-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylcyclohexane-1-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)N2CCC(Oc3ccc(OC(F)(F)F)cc3)CC2)CCCCC1
InChIInChI=1S/C19H25F3N2O6S/c20-19(21,22)30-16-6-4-14(5-7-16)29-15-8-12-24(13-9-15)31(27,28)18(17(25)23-26)10-2-1-3-11-18/h4-7,15,26H,1-3,8-13H2,(H,23,25)
InChIKeyAQLQTWGMLGHJSS-UHFFFAOYSA-N
XLogP2.97
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.48
LogP ≤ 52.97
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-2-yl-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide
CID 22052587
1-(oxan-2-yloxy)-4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxylic acid
CID 154300447
N-hydroxy-4-[4-[4-[4-(trifluoromethoxy)phenyl]phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride
CID 162312650
1-(oxan-2-yloxy)-4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxylate
CID 154300446
N-hydroxy-1-[(4-hydroxyphenyl)iminomethyl]-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride
CID 139931376
N-hydroxy-1-(2-methoxyethyl)-4-[4-(4-methylphenoxy)piperidin-1-yl]sulfonylpiperidine-4-carboxamide
CID 59989399
N-hydroxy-1-(pyrimidin-1-ium-1-ylmethyl)-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide
CID 23377578
4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide
CID 142651702
2-(hydroxycarbamoyl)-3-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylbenzoic acid
CID 20613388
N,2-dihydroxy-6-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylcyclohexa-1,5-diene-1-carboxamide
CID 142206895
1-[4-[5-(3,3-difluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxycyclopentane-1-carboxamide
CID 10411250

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylcyclohexane-1-carboxamide?
The IUPAC name of N-hydroxy-1-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylcyclohexane-1-carboxamide (CID 142009576) is N-hydroxy-1-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylcyclohexane-1-carboxamide.
What is the SMILES notation for N-hydroxy-1-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylcyclohexane-1-carboxamide?
The canonical SMILES for N-hydroxy-1-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylcyclohexane-1-carboxamide is O=C(NO)C1(S(=O)(=O)N2CCC(Oc3ccc(OC(F)(F)F)cc3)CC2)CCCCC1.
What is the InChIKey of N-hydroxy-1-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylcyclohexane-1-carboxamide?
The InChIKey is AQLQTWGMLGHJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O6S/c20-19(21,22)30-16-6-4-14(5-7-16)29-15-8-12-24(13-9-15)31(27,28)18(17(25)23-26)10-2-1-3-11-18/h4-7,15,26H,1-3,8-13H2,(H,23,25).
What are the key properties of N-hydroxy-1-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylcyclohexane-1-carboxamide?
N-hydroxy-1-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylcyclohexane-1-carboxamide has a molecular weight of 466.48 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylcyclohexane-1-carboxamide is sourced from PubChem (CID 142009576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).