2,2-dimethyl-4-oxo-4-[4-(trifluoromethyl)piperidin-1-yl]butanamide

C12H19F3N2O2 — CID 71236320

IUPAC2,2-dimethyl-4-oxo-4-[4-(trifluoromethyl)piperidin-1-yl]butanamide
SMILESCC(C)(CC(=O)N1CCC(C(F)(F)F)CC1)C(N)=O
InChIInChI=1S/C12H19F3N2O2/c1-11(2,10(16)19)7-9(18)17-5-3-8(4-6-17)12(13,14)15/h8H,3-7H2,1-2H3,(H2,16,19)
InChIKeyQEYUWBJNHKPGDT-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.69
Rot. Bonds3

About 2,2-dimethyl-4-oxo-4-[4-(trifluoromethyl)piperidin-1-yl]butanamide

2,2-dimethyl-4-oxo-4-[4-(trifluoromethyl)piperidin-1-yl]butanamide (PubChem CID 71236320) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 2,2-dimethyl-4-oxo-4-[4-(trifluoromethyl)piperidin-1-yl]butanamide.

Molecular Properties

Compound Name2,2-dimethyl-4-oxo-4-[4-(trifluoromethyl)piperidin-1-yl]butanamide
PubChem CID71236320
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC Name2,2-dimethyl-4-oxo-4-[4-(trifluoromethyl)piperidin-1-yl]butanamide
SMILESCC(C)(CC(=O)N1CCC(C(F)(F)F)CC1)C(N)=O
InChIInChI=1S/C12H19F3N2O2/c1-11(2,10(16)19)7-9(18)17-5-3-8(4-6-17)12(13,14)15/h8H,3-7H2,1-2H3,(H2,16,19)
InChIKeyQEYUWBJNHKPGDT-UHFFFAOYSA-N
XLogP1.69
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-oxo-4-[4-(trifluoromethyl)piperidin-1-yl]butanamide?
The IUPAC name of 2,2-dimethyl-4-oxo-4-[4-(trifluoromethyl)piperidin-1-yl]butanamide (CID 71236320) is 2,2-dimethyl-4-oxo-4-[4-(trifluoromethyl)piperidin-1-yl]butanamide.
What is the SMILES notation for 2,2-dimethyl-4-oxo-4-[4-(trifluoromethyl)piperidin-1-yl]butanamide?
The canonical SMILES for 2,2-dimethyl-4-oxo-4-[4-(trifluoromethyl)piperidin-1-yl]butanamide is CC(C)(CC(=O)N1CCC(C(F)(F)F)CC1)C(N)=O.
What is the InChIKey of 2,2-dimethyl-4-oxo-4-[4-(trifluoromethyl)piperidin-1-yl]butanamide?
The InChIKey is QEYUWBJNHKPGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c1-11(2,10(16)19)7-9(18)17-5-3-8(4-6-17)12(13,14)15/h8H,3-7H2,1-2H3,(H2,16,19).
What are the key properties of 2,2-dimethyl-4-oxo-4-[4-(trifluoromethyl)piperidin-1-yl]butanamide?
2,2-dimethyl-4-oxo-4-[4-(trifluoromethyl)piperidin-1-yl]butanamide has a molecular weight of 280.29 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-oxo-4-[4-(trifluoromethyl)piperidin-1-yl]butanamide is sourced from PubChem (CID 71236320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).