4-hydroxy-N-(6-methoxypyrimidin-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide

C12H15F3N4O3 — CID 138043020

IUPAC4-hydroxy-N-(6-methoxypyrimidin-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCC(O)(C(F)(F)F)CC2)ncn1
InChIInChI=1S/C12H15F3N4O3/c1-22-9-6-8(16-7-17-9)18-10(20)19-4-2-11(21,3-5-19)12(13,14)15/h6-7,21H,2-5H2,1H3,(H,16,17,18,20)
InChIKeyAMEQJYAIUFOJQJ-UHFFFAOYSA-N
MW320.27 g/mol
LogP1.41
Rot. Bonds2

About 4-hydroxy-N-(6-methoxypyrimidin-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide

4-hydroxy-N-(6-methoxypyrimidin-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 138043020) has the molecular formula C12H15F3N4O3 and a molecular weight of 320.27 g/mol. Its IUPAC name is 4-hydroxy-N-(6-methoxypyrimidin-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(6-methoxypyrimidin-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID138043020
Molecular FormulaC12H15F3N4O3
Molecular Weight320.27 g/mol
Exact Mass320.11
IUPAC Name4-hydroxy-N-(6-methoxypyrimidin-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCC(O)(C(F)(F)F)CC2)ncn1
InChIInChI=1S/C12H15F3N4O3/c1-22-9-6-8(16-7-17-9)18-10(20)19-4-2-11(21,3-5-19)12(13,14)15/h6-7,21H,2-5H2,1H3,(H,16,17,18,20)
InChIKeyAMEQJYAIUFOJQJ-UHFFFAOYSA-N
XLogP1.41
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(6-methoxypyrimidin-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of 4-hydroxy-N-(6-methoxypyrimidin-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide (CID 138043020) is 4-hydroxy-N-(6-methoxypyrimidin-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(6-methoxypyrimidin-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-(6-methoxypyrimidin-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide is COc1cc(NC(=O)N2CCC(O)(C(F)(F)F)CC2)ncn1.
What is the InChIKey of 4-hydroxy-N-(6-methoxypyrimidin-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is AMEQJYAIUFOJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O3/c1-22-9-6-8(16-7-17-9)18-10(20)19-4-2-11(21,3-5-19)12(13,14)15/h6-7,21H,2-5H2,1H3,(H,16,17,18,20).
What are the key properties of 4-hydroxy-N-(6-methoxypyrimidin-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide?
4-hydroxy-N-(6-methoxypyrimidin-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 320.27 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(6-methoxypyrimidin-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 138043020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).