4-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethyl-4-oxobutanamide

C12H19F3N2O3 — CID 71236328

IUPAC4-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethyl-4-oxobutanamide
SMILESCC(C)(CC(=O)N1CCC(O)(C(F)(F)F)CC1)C(N)=O
InChIInChI=1S/C12H19F3N2O3/c1-10(2,9(16)19)7-8(18)17-5-3-11(20,4-6-17)12(13,14)15/h20H,3-7H2,1-2H3,(H2,16,19)
InChIKeyBMTTYKCKROQLJQ-UHFFFAOYSA-N
MW296.29 g/mol
LogP0.80
Rot. Bonds3

About 4-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethyl-4-oxobutanamide

4-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethyl-4-oxobutanamide (PubChem CID 71236328) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 4-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethyl-4-oxobutanamide.

Molecular Properties

Compound Name4-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethyl-4-oxobutanamide
PubChem CID71236328
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Name4-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethyl-4-oxobutanamide
SMILESCC(C)(CC(=O)N1CCC(O)(C(F)(F)F)CC1)C(N)=O
InChIInChI=1S/C12H19F3N2O3/c1-10(2,9(16)19)7-8(18)17-5-3-11(20,4-6-17)12(13,14)15/h20H,3-7H2,1-2H3,(H2,16,19)
InChIKeyBMTTYKCKROQLJQ-UHFFFAOYSA-N
XLogP0.80
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethyl-4-oxobutanamide?
The IUPAC name of 4-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethyl-4-oxobutanamide (CID 71236328) is 4-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethyl-4-oxobutanamide.
What is the SMILES notation for 4-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethyl-4-oxobutanamide?
The canonical SMILES for 4-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethyl-4-oxobutanamide is CC(C)(CC(=O)N1CCC(O)(C(F)(F)F)CC1)C(N)=O.
What is the InChIKey of 4-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethyl-4-oxobutanamide?
The InChIKey is BMTTYKCKROQLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c1-10(2,9(16)19)7-8(18)17-5-3-11(20,4-6-17)12(13,14)15/h20H,3-7H2,1-2H3,(H2,16,19).
What are the key properties of 4-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethyl-4-oxobutanamide?
4-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethyl-4-oxobutanamide has a molecular weight of 296.29 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethyl-4-oxobutanamide is sourced from PubChem (CID 71236328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).