2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

C17H16F3N5O2 — CID 108531694

IUPAC2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H16F3N5O2/c18-17(19,20)12-2-4-13(5-3-12)23-14(26)15(27)24-8-10-25(11-9-24)16-21-6-1-7-22-16/h1-7H,8-11H2,(H,23,26)
InChIKeyRAMGQNSEXZYZEG-UHFFFAOYSA-N
MW379.34 g/mol
LogP1.78
Rot. Bonds2

About 2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 108531694) has the molecular formula C17H16F3N5O2 and a molecular weight of 379.34 g/mol. Its IUPAC name is 2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID108531694
Molecular FormulaC17H16F3N5O2
Molecular Weight379.34 g/mol
Exact Mass379.13
IUPAC Name2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H16F3N5O2/c18-17(19,20)12-2-4-13(5-3-12)23-14(26)15(27)24-8-10-25(11-9-24)16-21-6-1-7-22-16/h1-7H,8-11H2,(H,23,26)
InChIKeyRAMGQNSEXZYZEG-UHFFFAOYSA-N
XLogP1.78
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethylpiperazin-1-yl)-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide
CID 87039943
N-(4-tert-butylphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108884869
ethyl 4-[[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzoate
CID 108500168
2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide
CID 108530744
N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 11430023
4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 10172493
N-(3-chloro-4-methoxyphenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 108501278
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822
N-(4-fluorophenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108512673
N-(2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 25258955
N-(3H-indol-6-yl)-2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 58350682
N-[2,6-di(propan-2-yl)phenyl]-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 108986194

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (CID 108531694) is 2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(Nc1ccc(C(F)(F)F)cc1)C(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is RAMGQNSEXZYZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O2/c18-17(19,20)12-2-4-13(5-3-12)23-14(26)15(27)24-8-10-25(11-9-24)16-21-6-1-7-22-16/h1-7H,8-11H2,(H,23,26).
What are the key properties of 2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 379.34 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 108531694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).