N-hydroxy-1-[(4-hydroxyphenyl)iminomethyl]-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride

C25H30ClF3N4O6S — CID 139931376

IUPACN-hydroxy-1-[(4-hydroxyphenyl)iminomethyl]-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NO)C1(S(=O)(=O)N2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)CCN(/C=N/c2ccc(O)cc2)CC1
InChIInChI=1S/C25H29F3N4O6S.ClH/c26-25(27,28)18-1-7-21(8-2-18)38-22-9-13-32(14-10-22)39(36,37)24(23(34)30-35)11-15-31(16-12-24)17-29-19-3-5-20(33)6-4-19;/h1-8,17,22,33,35H,9-16H2,(H,30,34);1H/b29-17+;
InChIKeyLFWSEENDTRLGSA-WDCVSKPTSA-N
MW607.05 g/mol
LogP3.71
Rot. Bonds7

About N-hydroxy-1-[(4-hydroxyphenyl)iminomethyl]-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride

N-hydroxy-1-[(4-hydroxyphenyl)iminomethyl]-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride (PubChem CID 139931376) has the molecular formula C25H30ClF3N4O6S and a molecular weight of 607.05 g/mol. Its IUPAC name is N-hydroxy-1-[(4-hydroxyphenyl)iminomethyl]-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-hydroxy-1-[(4-hydroxyphenyl)iminomethyl]-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride
PubChem CID139931376
Molecular FormulaC25H30ClF3N4O6S
Molecular Weight607.05 g/mol
Exact Mass606.15
IUPAC NameN-hydroxy-1-[(4-hydroxyphenyl)iminomethyl]-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NO)C1(S(=O)(=O)N2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)CCN(/C=N/c2ccc(O)cc2)CC1
InChIInChI=1S/C25H29F3N4O6S.ClH/c26-25(27,28)18-1-7-21(8-2-18)38-22-9-13-32(14-10-22)39(36,37)24(23(34)30-35)11-15-31(16-12-24)17-29-19-3-5-20(33)6-4-19;/h1-8,17,22,33,35H,9-16H2,(H,30,34);1H/b29-17+;
InChIKeyLFWSEENDTRLGSA-WDCVSKPTSA-N
XLogP3.71
TPSA131.77 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500607.05
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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
N-hydroxy-1-(pyrimidin-1-ium-1-ylmethyl)-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide
CID 23377578
N-hydroxy-1-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylcyclohexane-1-carboxamide
CID 142009576
4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide
CID 142651702
4-[4-[4-[4-(trifluoromethyl)phenoxy]phenoxy]piperidin-1-yl]sulfonyloxane-4-carboxylic acid
CID 18723195
1-pyrimidin-2-yl-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxylic acid
CID 22052582
methyl 1-pyrimidin-2-yl-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxylate
CID 22052652
N-hydroxy-1-(2-methoxyethyl)-4-[4-(4-methylphenoxy)piperidin-1-yl]sulfonylpiperidine-4-carboxamide
CID 59989399
2-[1-benzyl-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidin-4-yl]-N-hydroxyacetamide
CID 139931403
1-(oxan-2-yloxy)-4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxylate
CID 154300446
N-hydroxy-2-[3-[4-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]sulfonylbenzamide;molecular hydrogen
CID 160946886

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-[(4-hydroxyphenyl)iminomethyl]-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-hydroxy-1-[(4-hydroxyphenyl)iminomethyl]-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride (CID 139931376) is N-hydroxy-1-[(4-hydroxyphenyl)iminomethyl]-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-hydroxy-1-[(4-hydroxyphenyl)iminomethyl]-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-hydroxy-1-[(4-hydroxyphenyl)iminomethyl]-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride is Cl.O=C(NO)C1(S(=O)(=O)N2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)CCN(/C=N/c2ccc(O)cc2)CC1.
What is the InChIKey of N-hydroxy-1-[(4-hydroxyphenyl)iminomethyl]-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is LFWSEENDTRLGSA-WDCVSKPTSA-N. The full InChI is InChI=1S/C25H29F3N4O6S.ClH/c26-25(27,28)18-1-7-21(8-2-18)38-22-9-13-32(14-10-22)39(36,37)24(23(34)30-35)11-15-31(16-12-24)17-29-19-3-5-20(33)6-4-19;/h1-8,17,22,33,35H,9-16H2,(H,30,34);1H/b29-17+;.
What are the key properties of N-hydroxy-1-[(4-hydroxyphenyl)iminomethyl]-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride?
N-hydroxy-1-[(4-hydroxyphenyl)iminomethyl]-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 607.05 g/mol, XLogP of 3.71, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-[(4-hydroxyphenyl)iminomethyl]-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 139931376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).