2-oxo-2-[4-(3,4,5-trifluorobenzoyl)piperazin-1-yl]acetamide

C13H12F3N3O3 — CID 67547799

IUPAC2-oxo-2-[4-(3,4,5-trifluorobenzoyl)piperazin-1-yl]acetamide
SMILESNC(=O)C(=O)N1CCN(C(=O)c2cc(F)c(F)c(F)c2)CC1
InChIInChI=1S/C13H12F3N3O3/c14-8-5-7(6-9(15)10(8)16)12(21)18-1-3-19(4-2-18)13(22)11(17)20/h5-6H,1-4H2,(H2,17,20)
InChIKeyCHHZSJPBOSOTOQ-UHFFFAOYSA-N
MW315.25 g/mol
LogP-0.13
Rot. Bonds1

About 2-oxo-2-[4-(3,4,5-trifluorobenzoyl)piperazin-1-yl]acetamide

2-oxo-2-[4-(3,4,5-trifluorobenzoyl)piperazin-1-yl]acetamide (PubChem CID 67547799) has the molecular formula C13H12F3N3O3 and a molecular weight of 315.25 g/mol. Its IUPAC name is 2-oxo-2-[4-(3,4,5-trifluorobenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-oxo-2-[4-(3,4,5-trifluorobenzoyl)piperazin-1-yl]acetamide
PubChem CID67547799
Molecular FormulaC13H12F3N3O3
Molecular Weight315.25 g/mol
Exact Mass315.08
IUPAC Name2-oxo-2-[4-(3,4,5-trifluorobenzoyl)piperazin-1-yl]acetamide
SMILESNC(=O)C(=O)N1CCN(C(=O)c2cc(F)c(F)c(F)c2)CC1
InChIInChI=1S/C13H12F3N3O3/c14-8-5-7(6-9(15)10(8)16)12(21)18-1-3-19(4-2-18)13(22)11(17)20/h5-6H,1-4H2,(H2,17,20)
InChIKeyCHHZSJPBOSOTOQ-UHFFFAOYSA-N
XLogP-0.13
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-oxo-2-[4-(3,4,5-trifluorobenzoyl)piperazin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-cyclopropylpiperazin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 63188677
2-amino-2-[4-(3,4,5-trifluorobenzoyl)piperazin-1-yl]acetaldehyde
CID 87531421
2,6-difluoro-4-(morpholine-4-carbonyl)benzamide
CID 68557409
1,4-diazepan-1-yl-(3,4,5-trifluorophenyl)methanone
CID 63183784
[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 95759043
[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 95759040
aziridin-1-yl-[3,5-bis(aziridine-1-carbonyl)phenyl]methanone
CID 27654
(4-ethylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 63188938
(4-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 63189041
(4-amino-3,5-difluorophenyl)-piperidin-1-ylmethanone
CID 63187366
(3-amino-5-methylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 79994422
2-(3,4,5-trifluorobenzoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82856892

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-[4-(3,4,5-trifluorobenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of 2-oxo-2-[4-(3,4,5-trifluorobenzoyl)piperazin-1-yl]acetamide (CID 67547799) is 2-oxo-2-[4-(3,4,5-trifluorobenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for 2-oxo-2-[4-(3,4,5-trifluorobenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for 2-oxo-2-[4-(3,4,5-trifluorobenzoyl)piperazin-1-yl]acetamide is NC(=O)C(=O)N1CCN(C(=O)c2cc(F)c(F)c(F)c2)CC1.
What is the InChIKey of 2-oxo-2-[4-(3,4,5-trifluorobenzoyl)piperazin-1-yl]acetamide?
The InChIKey is CHHZSJPBOSOTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O3/c14-8-5-7(6-9(15)10(8)16)12(21)18-1-3-19(4-2-18)13(22)11(17)20/h5-6H,1-4H2,(H2,17,20).
What are the key properties of 2-oxo-2-[4-(3,4,5-trifluorobenzoyl)piperazin-1-yl]acetamide?
2-oxo-2-[4-(3,4,5-trifluorobenzoyl)piperazin-1-yl]acetamide has a molecular weight of 315.25 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-[4-(3,4,5-trifluorobenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 67547799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).