6-[2,3-dioxo-1-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]propyl]-N-hydroxy-2,3-dihydro-1,3-benzoxazole-7-carboxamide

C23H22F3N3O6 — CID 142206842

IUPAC6-[2,3-dioxo-1-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]propyl]-N-hydroxy-2,3-dihydro-1,3-benzoxazole-7-carboxamide
SMILESO=CC(=O)C(c1ccc2c(c1C(=O)NO)OCN2)N1CCC(Oc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C23H22F3N3O6/c24-23(25,26)13-1-3-14(4-2-13)35-15-7-9-29(10-8-15)20(18(31)11-30)16-5-6-17-21(34-12-27-17)19(16)22(32)28-33/h1-6,11,15,20,27,33H,7-10,12H2,(H,28,32)
InChIKeyCTBWUXXNKHVHML-UHFFFAOYSA-N
MW493.44 g/mol
LogP2.94
Rot. Bonds7

About 6-[2,3-dioxo-1-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]propyl]-N-hydroxy-2,3-dihydro-1,3-benzoxazole-7-carboxamide

6-[2,3-dioxo-1-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]propyl]-N-hydroxy-2,3-dihydro-1,3-benzoxazole-7-carboxamide (PubChem CID 142206842) has the molecular formula C23H22F3N3O6 and a molecular weight of 493.44 g/mol. Its IUPAC name is 6-[2,3-dioxo-1-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]propyl]-N-hydroxy-2,3-dihydro-1,3-benzoxazole-7-carboxamide.

Molecular Properties

Compound Name6-[2,3-dioxo-1-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]propyl]-N-hydroxy-2,3-dihydro-1,3-benzoxazole-7-carboxamide
PubChem CID142206842
Molecular FormulaC23H22F3N3O6
Molecular Weight493.44 g/mol
Exact Mass493.15
IUPAC Name6-[2,3-dioxo-1-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]propyl]-N-hydroxy-2,3-dihydro-1,3-benzoxazole-7-carboxamide
SMILESO=CC(=O)C(c1ccc2c(c1C(=O)NO)OCN2)N1CCC(Oc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C23H22F3N3O6/c24-23(25,26)13-1-3-14(4-2-13)35-15-7-9-29(10-8-15)20(18(31)11-30)16-5-6-17-21(34-12-27-17)19(16)22(32)28-33/h1-6,11,15,20,27,33H,7-10,12H2,(H,28,32)
InChIKeyCTBWUXXNKHVHML-UHFFFAOYSA-N
XLogP2.94
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.44
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-2,3-dimethoxy-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanylbenzamide
CID 142028119
2-chloro-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanylthiophene-3-carboxamide;chloromethane
CID 142028058
N-hydroxy-2-(methylamino)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanylbenzamide
CID 142028071
N-hydroxy-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanyl-1,3-benzothiazole-7-carboxamide
CID 142028030
[4-(4-fluorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 110396962
(3S)-3-[4-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylic acid
CID 175135309
5-(4-fluorophenyl)-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide
CID 142705661
1-cyclopropyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide
CID 22052601
ethane;[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl] 1-(hydroxyamino)-1-oxo-2-phenylpropane-2-sulfinate
CID 159079066
N-hydroxy-2-[3-[4-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]sulfonylbenzamide;molecular hydrogen
CID 160946886
(3R)-3-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxylic acid
CID 175134415
1-N-[2-(dimethylamino)ethyl]-2-N-hydroxy-3-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzene-1,2-dicarboxamide
CID 20613481

Frequently Asked Questions

What is the IUPAC name of 6-[2,3-dioxo-1-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]propyl]-N-hydroxy-2,3-dihydro-1,3-benzoxazole-7-carboxamide?
The IUPAC name of 6-[2,3-dioxo-1-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]propyl]-N-hydroxy-2,3-dihydro-1,3-benzoxazole-7-carboxamide (CID 142206842) is 6-[2,3-dioxo-1-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]propyl]-N-hydroxy-2,3-dihydro-1,3-benzoxazole-7-carboxamide.
What is the SMILES notation for 6-[2,3-dioxo-1-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]propyl]-N-hydroxy-2,3-dihydro-1,3-benzoxazole-7-carboxamide?
The canonical SMILES for 6-[2,3-dioxo-1-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]propyl]-N-hydroxy-2,3-dihydro-1,3-benzoxazole-7-carboxamide is O=CC(=O)C(c1ccc2c(c1C(=O)NO)OCN2)N1CCC(Oc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 6-[2,3-dioxo-1-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]propyl]-N-hydroxy-2,3-dihydro-1,3-benzoxazole-7-carboxamide?
The InChIKey is CTBWUXXNKHVHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O6/c24-23(25,26)13-1-3-14(4-2-13)35-15-7-9-29(10-8-15)20(18(31)11-30)16-5-6-17-21(34-12-27-17)19(16)22(32)28-33/h1-6,11,15,20,27,33H,7-10,12H2,(H,28,32).
What are the key properties of 6-[2,3-dioxo-1-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]propyl]-N-hydroxy-2,3-dihydro-1,3-benzoxazole-7-carboxamide?
6-[2,3-dioxo-1-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]propyl]-N-hydroxy-2,3-dihydro-1,3-benzoxazole-7-carboxamide has a molecular weight of 493.44 g/mol, XLogP of 2.94, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,3-dioxo-1-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]propyl]-N-hydroxy-2,3-dihydro-1,3-benzoxazole-7-carboxamide is sourced from PubChem (CID 142206842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).