2-(4-aminopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C9H16F3N3O — CID 43556829

IUPAC2-(4-aminopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESNC1CCN(CC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C9H16F3N3O/c10-9(11,12)6-14-8(16)5-15-3-1-7(13)2-4-15/h7H,1-6,13H2,(H,14,16)
InChIKeyQEYHEIAEIDBQDA-UHFFFAOYSA-N
MW239.24 g/mol
LogP0.09
Rot. Bonds3

About 2-(4-aminopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(4-aminopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 43556829) has the molecular formula C9H16F3N3O and a molecular weight of 239.24 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID43556829
Molecular FormulaC9H16F3N3O
Molecular Weight239.24 g/mol
Exact Mass239.12
IUPAC Name2-(4-aminopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESNC1CCN(CC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C9H16F3N3O/c10-9(11,12)6-14-8(16)5-15-3-1-7(13)2-4-15/h7H,1-6,13H2,(H,14,16)
InChIKeyQEYHEIAEIDBQDA-UHFFFAOYSA-N
XLogP0.09
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 43556829) is 2-(4-aminopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is NC1CCN(CC(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is QEYHEIAEIDBQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O/c10-9(11,12)6-14-8(16)5-15-3-1-7(13)2-4-15/h7H,1-6,13H2,(H,14,16).
What are the key properties of 2-(4-aminopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-aminopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 239.24 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 43556829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).