2-acetamido-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide

C11H18F3N3O2 — CID 43603375

IUPAC2-acetamido-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(=O)NCC(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C11H18F3N3O2/c1-8(18)16-6-10(19)17(7-11(12,13)14)9-2-4-15-5-3-9/h9,15H,2-7H2,1H3,(H,16,18)
InChIKeyPXRRUJPLVWJPGV-UHFFFAOYSA-N
MW281.28 g/mol
LogP0.27
Rot. Bonds4

About 2-acetamido-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide

2-acetamido-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 43603375) has the molecular formula C11H18F3N3O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-acetamido-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-acetamido-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID43603375
Molecular FormulaC11H18F3N3O2
Molecular Weight281.28 g/mol
Exact Mass281.14
IUPAC Name2-acetamido-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(=O)NCC(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C11H18F3N3O2/c1-8(18)16-6-10(19)17(7-11(12,13)14)9-2-4-15-5-3-9/h9,15H,2-7H2,1H3,(H,16,18)
InChIKeyPXRRUJPLVWJPGV-UHFFFAOYSA-N
XLogP0.27
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-acetamido-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide (CID 43603375) is 2-acetamido-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-acetamido-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-acetamido-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide is CC(=O)NCC(=O)N(CC(F)(F)F)C1CCNCC1.
What is the InChIKey of 2-acetamido-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is PXRRUJPLVWJPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O2/c1-8(18)16-6-10(19)17(7-11(12,13)14)9-2-4-15-5-3-9/h9,15H,2-7H2,1H3,(H,16,18).
What are the key properties of 2-acetamido-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide?
2-acetamido-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 281.28 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 43603375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).