2-(3-hydroxypiperidin-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide

C11H18F3N3O3 — CID 47151593

IUPAC2-(3-hydroxypiperidin-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide
SMILESCC(C(=O)NC(=O)NCC(F)(F)F)N1CCCC(O)C1
InChIInChI=1S/C11H18F3N3O3/c1-7(17-4-2-3-8(18)5-17)9(19)16-10(20)15-6-11(12,13)14/h7-8,18H,2-6H2,1H3,(H2,15,16,19,20)
InChIKeyRFYCEOXMMOVGKA-UHFFFAOYSA-N
MW297.28 g/mol
LogP0.22
Rot. Bonds3

About 2-(3-hydroxypiperidin-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide

2-(3-hydroxypiperidin-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide (PubChem CID 47151593) has the molecular formula C11H18F3N3O3 and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-(3-hydroxypiperidin-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(3-hydroxypiperidin-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide
PubChem CID47151593
Molecular FormulaC11H18F3N3O3
Molecular Weight297.28 g/mol
Exact Mass297.13
IUPAC Name2-(3-hydroxypiperidin-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide
SMILESCC(C(=O)NC(=O)NCC(F)(F)F)N1CCCC(O)C1
InChIInChI=1S/C11H18F3N3O3/c1-7(17-4-2-3-8(18)5-17)9(19)16-10(20)15-6-11(12,13)14/h7-8,18H,2-6H2,1H3,(H2,15,16,19,20)
InChIKeyRFYCEOXMMOVGKA-UHFFFAOYSA-N
XLogP0.22
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypiperidin-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide?
The IUPAC name of 2-(3-hydroxypiperidin-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide (CID 47151593) is 2-(3-hydroxypiperidin-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide.
What is the SMILES notation for 2-(3-hydroxypiperidin-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide?
The canonical SMILES for 2-(3-hydroxypiperidin-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide is CC(C(=O)NC(=O)NCC(F)(F)F)N1CCCC(O)C1.
What is the InChIKey of 2-(3-hydroxypiperidin-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide?
The InChIKey is RFYCEOXMMOVGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O3/c1-7(17-4-2-3-8(18)5-17)9(19)16-10(20)15-6-11(12,13)14/h7-8,18H,2-6H2,1H3,(H2,15,16,19,20).
What are the key properties of 2-(3-hydroxypiperidin-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide?
2-(3-hydroxypiperidin-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide has a molecular weight of 297.28 g/mol, XLogP of 0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypiperidin-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide is sourced from PubChem (CID 47151593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).