3-hydroxy-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide

C13H23F3N2O2 — CID 86791309

IUPAC3-hydroxy-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide
SMILESCC(C)(C)CC(NC(=O)N1CCCC(O)C1)C(F)(F)F
InChIInChI=1S/C13H23F3N2O2/c1-12(2,3)7-10(13(14,15)16)17-11(20)18-6-4-5-9(19)8-18/h9-10,19H,4-8H2,1-3H3,(H,17,20)
InChIKeyPMCUPPXPVKUNDM-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.52
Rot. Bonds2

About 3-hydroxy-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide

3-hydroxy-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide (PubChem CID 86791309) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-hydroxy-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide
PubChem CID86791309
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name3-hydroxy-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide
SMILESCC(C)(C)CC(NC(=O)N1CCCC(O)C1)C(F)(F)F
InChIInChI=1S/C13H23F3N2O2/c1-12(2,3)7-10(13(14,15)16)17-11(20)18-6-4-5-9(19)8-18/h9-10,19H,4-8H2,1-3H3,(H,17,20)
InChIKeyPMCUPPXPVKUNDM-UHFFFAOYSA-N
XLogP2.52
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-hydroxy-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide?
The IUPAC name of 3-hydroxy-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide (CID 86791309) is 3-hydroxy-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 3-hydroxy-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide is CC(C)(C)CC(NC(=O)N1CCCC(O)C1)C(F)(F)F.
What is the InChIKey of 3-hydroxy-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide?
The InChIKey is PMCUPPXPVKUNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-12(2,3)7-10(13(14,15)16)17-11(20)18-6-4-5-9(19)8-18/h9-10,19H,4-8H2,1-3H3,(H,17,20).
What are the key properties of 3-hydroxy-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide?
3-hydroxy-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 86791309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).