4-hydroxy-N-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)piperidine-1-carboxamide

C12H21F3N2O3 — CID 75483149

IUPAC4-hydroxy-N-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCOC(C)(C)CNC(=O)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O3/c1-10(2,20-3)8-16-9(18)17-6-4-11(19,5-7-17)12(13,14)15/h19H,4-8H2,1-3H3,(H,16,18)
InChIKeyXJGIQYQKPCINEL-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.51
Rot. Bonds3

About 4-hydroxy-N-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)piperidine-1-carboxamide

4-hydroxy-N-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 75483149) has the molecular formula C12H21F3N2O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 4-hydroxy-N-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID75483149
Molecular FormulaC12H21F3N2O3
Molecular Weight298.30 g/mol
Exact Mass298.15
IUPAC Name4-hydroxy-N-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCOC(C)(C)CNC(=O)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O3/c1-10(2,20-3)8-16-9(18)17-6-4-11(19,5-7-17)12(13,14)15/h19H,4-8H2,1-3H3,(H,16,18)
InChIKeyXJGIQYQKPCINEL-UHFFFAOYSA-N
XLogP1.51
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of 4-hydroxy-N-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)piperidine-1-carboxamide (CID 75483149) is 4-hydroxy-N-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)piperidine-1-carboxamide is COC(C)(C)CNC(=O)N1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of 4-hydroxy-N-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is XJGIQYQKPCINEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O3/c1-10(2,20-3)8-16-9(18)17-6-4-11(19,5-7-17)12(13,14)15/h19H,4-8H2,1-3H3,(H,16,18).
What are the key properties of 4-hydroxy-N-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)piperidine-1-carboxamide?
4-hydroxy-N-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 298.30 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 75483149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).