2-(3-oxopiperazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide

C12H12F3N3O2 — CID 2656976

IUPAC2-(3-oxopiperazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C1CN(CC(=O)Nc2ccc(F)c(F)c2F)CCN1
InChIInChI=1S/C12H12F3N3O2/c13-7-1-2-8(12(15)11(7)14)17-10(20)6-18-4-3-16-9(19)5-18/h1-2H,3-6H2,(H,16,19)(H,17,20)
InChIKeyRIPKLVULGRYUOO-UHFFFAOYSA-N
MW287.24 g/mol
LogP0.47
Rot. Bonds3

About 2-(3-oxopiperazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide

2-(3-oxopiperazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 2656976) has the molecular formula C12H12F3N3O2 and a molecular weight of 287.24 g/mol. Its IUPAC name is 2-(3-oxopiperazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-oxopiperazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID2656976
Molecular FormulaC12H12F3N3O2
Molecular Weight287.24 g/mol
Exact Mass287.09
IUPAC Name2-(3-oxopiperazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C1CN(CC(=O)Nc2ccc(F)c(F)c2F)CCN1
InChIInChI=1S/C12H12F3N3O2/c13-7-1-2-8(12(15)11(7)14)17-10(20)6-18-4-3-16-9(19)5-18/h1-2H,3-6H2,(H,16,19)(H,17,20)
InChIKeyRIPKLVULGRYUOO-UHFFFAOYSA-N
XLogP0.47
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4-fluorophenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 8962997
2-[(3R)-3-methylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 104975748
N-(2-methylphenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 8962959
N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 2113839
N-(4-aminophenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 16778608
N-[(4-fluorophenyl)methyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 2546535
2-(4-benzylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 2697464
N-(5-amino-2-fluorophenyl)-3-(3-oxopiperazin-1-yl)propanamide
CID 16779095
2-(3-oxopiperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 2656984
N-(4-amino-2-chlorophenyl)-2-(3-oxo-1,4-diazepan-1-yl)acetamide
CID 65361365
N-[4-amino-3-(trifluoromethyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 16778689
N-(4-amino-2-methylphenyl)-2-(3-oxo-1,4-diazepan-1-yl)acetamide
CID 65361414

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxopiperazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-(3-oxopiperazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide (CID 2656976) is 2-(3-oxopiperazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(3-oxopiperazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-(3-oxopiperazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide is O=C1CN(CC(=O)Nc2ccc(F)c(F)c2F)CCN1.
What is the InChIKey of 2-(3-oxopiperazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is RIPKLVULGRYUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O2/c13-7-1-2-8(12(15)11(7)14)17-10(20)6-18-4-3-16-9(19)5-18/h1-2H,3-6H2,(H,16,19)(H,17,20).
What are the key properties of 2-(3-oxopiperazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide?
2-(3-oxopiperazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 287.24 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxopiperazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 2656976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).