1-benzoyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfanylpiperidine-4-carboxamide

C26H23F3N2O4S — CID 142028510

IUPAC1-benzoyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfanylpiperidine-4-carboxamide
SMILESO=C(c1ccccc1)N1CCC(Sc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)(C(=O)NO)CC1
InChIInChI=1S/C26H23F3N2O4S/c27-26(28,29)19-6-8-20(9-7-19)35-21-10-12-22(13-11-21)36-25(24(33)30-34)14-16-31(17-15-25)23(32)18-4-2-1-3-5-18/h1-13,34H,14-17H2,(H,30,33)
InChIKeyRBJNRHBKUMFNNR-UHFFFAOYSA-N
MW516.54 g/mol
LogP5.77
Rot. Bonds6

About 1-benzoyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfanylpiperidine-4-carboxamide

1-benzoyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfanylpiperidine-4-carboxamide (PubChem CID 142028510) has the molecular formula C26H23F3N2O4S and a molecular weight of 516.54 g/mol. Its IUPAC name is 1-benzoyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfanylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfanylpiperidine-4-carboxamide
PubChem CID142028510
Molecular FormulaC26H23F3N2O4S
Molecular Weight516.54 g/mol
Exact Mass516.13
IUPAC Name1-benzoyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfanylpiperidine-4-carboxamide
SMILESO=C(c1ccccc1)N1CCC(Sc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)(C(=O)NO)CC1
InChIInChI=1S/C26H23F3N2O4S/c27-26(28,29)19-6-8-20(9-7-19)35-21-10-12-22(13-11-21)36-25(24(33)30-34)14-16-31(17-15-25)23(32)18-4-2-1-3-5-18/h1-13,34H,14-17H2,(H,30,33)
InChIKeyRBJNRHBKUMFNNR-UHFFFAOYSA-N
XLogP5.77
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.54
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-oxo-2-phenyl-N-[6-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-6-azaspiro[2.5]octan-2-yl]acetamide
CID 171698481
1-benzoyl-N-hydroxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
CID 22707809
[4-(4-bromobenzoyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 108534348
(4,4-dimethoxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 84582397
(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 131702366
2-(2-methylphenoxy)-N-[6-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-6-azaspiro[2.5]octan-2-yl]acetamide
CID 171681534
[4-(4-phenoxybenzoyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 36615147
[4-(methylamino)phenyl]-[2-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-2,8-diazaspiro[5.5]undecan-8-yl]methanone
CID 171683984
2-phenoxy-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone
CID 110364837
(4-phenoxyphenyl)-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 71944089
N-hydroxy-1-(pyridin-4-ylmethyl)-4-[4-[4-(trifluoromethyl)phenoxy]cyclohepta-1,3,5-trien-1-yl]sulfanylpiperidine-4-carboxamide
CID 142005420
(4-phenoxyphenyl)-piperidin-1-ylmethanone
CID 112759363

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfanylpiperidine-4-carboxamide?
The IUPAC name of 1-benzoyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfanylpiperidine-4-carboxamide (CID 142028510) is 1-benzoyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfanylpiperidine-4-carboxamide.
What is the SMILES notation for 1-benzoyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfanylpiperidine-4-carboxamide?
The canonical SMILES for 1-benzoyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfanylpiperidine-4-carboxamide is O=C(c1ccccc1)N1CCC(Sc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)(C(=O)NO)CC1.
What is the InChIKey of 1-benzoyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfanylpiperidine-4-carboxamide?
The InChIKey is RBJNRHBKUMFNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N2O4S/c27-26(28,29)19-6-8-20(9-7-19)35-21-10-12-22(13-11-21)36-25(24(33)30-34)14-16-31(17-15-25)23(32)18-4-2-1-3-5-18/h1-13,34H,14-17H2,(H,30,33).
What are the key properties of 1-benzoyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfanylpiperidine-4-carboxamide?
1-benzoyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfanylpiperidine-4-carboxamide has a molecular weight of 516.54 g/mol, XLogP of 5.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfanylpiperidine-4-carboxamide is sourced from PubChem (CID 142028510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).