2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[(2-fluorophenyl)methyl]-2-oxoacetamide

C18H26FN3O2 — CID 108522557

IUPAC2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[(2-fluorophenyl)methyl]-2-oxoacetamide
SMILESCC1(C)CC(N)CC(C)(C)N1C(=O)C(=O)NCc1ccccc1F
InChIInChI=1S/C18H26FN3O2/c1-17(2)9-13(20)10-18(3,4)22(17)16(24)15(23)21-11-12-7-5-6-8-14(12)19/h5-8,13H,9-11,20H2,1-4H3,(H,21,23)
InChIKeySWYSUZSEAWWQAE-UHFFFAOYSA-N
MW335.42 g/mol
LogP1.95
Rot. Bonds2

About 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[(2-fluorophenyl)methyl]-2-oxoacetamide

2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[(2-fluorophenyl)methyl]-2-oxoacetamide (PubChem CID 108522557) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[(2-fluorophenyl)methyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[(2-fluorophenyl)methyl]-2-oxoacetamide
PubChem CID108522557
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC Name2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[(2-fluorophenyl)methyl]-2-oxoacetamide
SMILESCC1(C)CC(N)CC(C)(C)N1C(=O)C(=O)NCc1ccccc1F
InChIInChI=1S/C18H26FN3O2/c1-17(2)9-13(20)10-18(3,4)22(17)16(24)15(23)21-11-12-7-5-6-8-14(12)19/h5-8,13H,9-11,20H2,1-4H3,(H,21,23)
InChIKeySWYSUZSEAWWQAE-UHFFFAOYSA-N
XLogP1.95
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 51.95
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)-N-[(2-fluorophenyl)methyl]-2-oxoacetamide?
The IUPAC name of 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[(2-fluorophenyl)methyl]-2-oxoacetamide (CID 108522557) is 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[(2-fluorophenyl)methyl]-2-oxoacetamide.
What is the SMILES notation for 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[(2-fluorophenyl)methyl]-2-oxoacetamide?
The canonical SMILES for 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[(2-fluorophenyl)methyl]-2-oxoacetamide is CC1(C)CC(N)CC(C)(C)N1C(=O)C(=O)NCc1ccccc1F.
What is the InChIKey of 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[(2-fluorophenyl)methyl]-2-oxoacetamide?
The InChIKey is SWYSUZSEAWWQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-17(2)9-13(20)10-18(3,4)22(17)16(24)15(23)21-11-12-7-5-6-8-14(12)19/h5-8,13H,9-11,20H2,1-4H3,(H,21,23).
What are the key properties of 2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[(2-fluorophenyl)methyl]-2-oxoacetamide?
2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[(2-fluorophenyl)methyl]-2-oxoacetamide has a molecular weight of 335.42 g/mol, XLogP of 1.95, 2 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)-N-[(2-fluorophenyl)methyl]-2-oxoacetamide is sourced from PubChem (CID 108522557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).