3-hydroxy-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperidine-3-carboxamide

C10H17F3N2O3 — CID 139269959

IUPAC3-hydroxy-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperidine-3-carboxamide
SMILESCC(O)(CN1CCCC(O)(C(N)=O)C1)C(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-8(17,10(11,12)13)5-15-4-2-3-9(18,6-15)7(14)16/h17-18H,2-6H2,1H3,(H2,14,16)
InChIKeyHCLBVUMAASPKRE-UHFFFAOYSA-N
MW270.25 g/mol
LogP-0.39
Rot. Bonds3

About 3-hydroxy-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperidine-3-carboxamide

3-hydroxy-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperidine-3-carboxamide (PubChem CID 139269959) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 3-hydroxy-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name3-hydroxy-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperidine-3-carboxamide
PubChem CID139269959
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name3-hydroxy-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperidine-3-carboxamide
SMILESCC(O)(CN1CCCC(O)(C(N)=O)C1)C(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-8(17,10(11,12)13)5-15-4-2-3-9(18,6-15)7(14)16/h17-18H,2-6H2,1H3,(H2,14,16)
InChIKeyHCLBVUMAASPKRE-UHFFFAOYSA-N
XLogP-0.39
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperidine-3-carboxamide?
The IUPAC name of 3-hydroxy-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperidine-3-carboxamide (CID 139269959) is 3-hydroxy-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 3-hydroxy-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 3-hydroxy-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperidine-3-carboxamide is CC(O)(CN1CCCC(O)(C(N)=O)C1)C(F)(F)F.
What is the InChIKey of 3-hydroxy-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperidine-3-carboxamide?
The InChIKey is HCLBVUMAASPKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-8(17,10(11,12)13)5-15-4-2-3-9(18,6-15)7(14)16/h17-18H,2-6H2,1H3,(H2,14,16).
What are the key properties of 3-hydroxy-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperidine-3-carboxamide?
3-hydroxy-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperidine-3-carboxamide has a molecular weight of 270.25 g/mol, XLogP of -0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 139269959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).