2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide

C18H24F3N3O2 — CID 108522648

IUPAC2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC1(C)CC(N)CC(C)(C)N1C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H24F3N3O2/c1-16(2)9-12(22)10-17(3,4)24(16)15(26)14(25)23-13-7-5-11(6-8-13)18(19,20)21/h5-8,12H,9-10,22H2,1-4H3,(H,23,25)
InChIKeyYFKUXCNRRWWFHA-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.15
Rot. Bonds1

About 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide

2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 108522648) has the molecular formula C18H24F3N3O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID108522648
Molecular FormulaC18H24F3N3O2
Molecular Weight371.40 g/mol
Exact Mass371.18
IUPAC Name2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC1(C)CC(N)CC(C)(C)N1C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H24F3N3O2/c1-16(2)9-12(22)10-17(3,4)24(16)15(26)14(25)23-13-7-5-11(6-8-13)18(19,20)21/h5-8,12H,9-10,22H2,1-4H3,(H,23,25)
InChIKeyYFKUXCNRRWWFHA-UHFFFAOYSA-N
XLogP3.15
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide (CID 108522648) is 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide is CC1(C)CC(N)CC(C)(C)N1C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YFKUXCNRRWWFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O2/c1-16(2)9-12(22)10-17(3,4)24(16)15(26)14(25)23-13-7-5-11(6-8-13)18(19,20)21/h5-8,12H,9-10,22H2,1-4H3,(H,23,25).
What are the key properties of 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 371.40 g/mol, XLogP of 3.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 108522648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).