N-hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide

C11H13F3N4O2 — CID 46175306

IUPACN-hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
SMILESO=C(NO)C1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C11H13F3N4O2/c12-11(13,14)8-1-4-15-10(16-8)18-5-2-7(3-6-18)9(19)17-20/h1,4,7,20H,2-3,5-6H2,(H,17,19)
InChIKeyQPYMVVCMOVGBAP-UHFFFAOYSA-N
MW290.24 g/mol
LogP1.22
Rot. Bonds2

About N-hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide

N-hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide (PubChem CID 46175306) has the molecular formula C11H13F3N4O2 and a molecular weight of 290.24 g/mol. Its IUPAC name is N-hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
PubChem CID46175306
Molecular FormulaC11H13F3N4O2
Molecular Weight290.24 g/mol
Exact Mass290.10
IUPAC NameN-hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
SMILESO=C(NO)C1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C11H13F3N4O2/c12-11(13,14)8-1-4-15-10(16-8)18-5-2-7(3-6-18)9(19)17-20/h1,4,7,20H,2-3,5-6H2,(H,17,19)
InChIKeyQPYMVVCMOVGBAP-UHFFFAOYSA-N
XLogP1.22
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 51.22
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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide (CID 46175306) is N-hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide is O=C(NO)C1CCN(c2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of N-hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide?
The InChIKey is QPYMVVCMOVGBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O2/c12-11(13,14)8-1-4-15-10(16-8)18-5-2-7(3-6-18)9(19)17-20/h1,4,7,20H,2-3,5-6H2,(H,17,19).
What are the key properties of N-hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide?
N-hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide has a molecular weight of 290.24 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46175306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).