N-[4-(3-oxopiperazin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide

C19H18F3N3O2 — CID 78866394

IUPACN-[4-(3-oxopiperazin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C1CN(c2ccc(NC(=O)Cc3cccc(C(F)(F)F)c3)cc2)CCN1
InChIInChI=1S/C19H18F3N3O2/c20-19(21,22)14-3-1-2-13(10-14)11-17(26)24-15-4-6-16(7-5-15)25-9-8-23-18(27)12-25/h1-7,10H,8-9,11-12H2,(H,23,27)(H,24,26)
InChIKeyRRVGRHOHRHRVGX-UHFFFAOYSA-N
MW377.37 g/mol
LogP2.82
Rot. Bonds4

About N-[4-(3-oxopiperazin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide

N-[4-(3-oxopiperazin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 78866394) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is N-[4-(3-oxopiperazin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-oxopiperazin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID78866394
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC NameN-[4-(3-oxopiperazin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C1CN(c2ccc(NC(=O)Cc3cccc(C(F)(F)F)c3)cc2)CCN1
InChIInChI=1S/C19H18F3N3O2/c20-19(21,22)14-3-1-2-13(10-14)11-17(26)24-15-4-6-16(7-5-15)25-9-8-23-18(27)12-25/h1-7,10H,8-9,11-12H2,(H,23,27)(H,24,26)
InChIKeyRRVGRHOHRHRVGX-UHFFFAOYSA-N
XLogP2.82
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8716542
N-[4-(3-oxopiperazin-1-yl)phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 78876546
2-methyl-1-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111268306
N-[4-(3-oxopiperazin-1-yl)phenyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78883362
N-(4-anilinophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 161345978
N-methyl-2-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenyl]acetamide
CID 38402676
N-(4-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 4848940
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 51153500
N-(4-phenyldiazenylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 7927071
N-methyl-4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide
CID 8700304
2-(3-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 123188980
N-(4-pyrrolidin-1-ylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 37475260

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-oxopiperazin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[4-(3-oxopiperazin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 78866394) is N-[4-(3-oxopiperazin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(3-oxopiperazin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[4-(3-oxopiperazin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide is O=C1CN(c2ccc(NC(=O)Cc3cccc(C(F)(F)F)c3)cc2)CCN1.
What is the InChIKey of N-[4-(3-oxopiperazin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is RRVGRHOHRHRVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c20-19(21,22)14-3-1-2-13(10-14)11-17(26)24-15-4-6-16(7-5-15)25-9-8-23-18(27)12-25/h1-7,10H,8-9,11-12H2,(H,23,27)(H,24,26).
What are the key properties of N-[4-(3-oxopiperazin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[4-(3-oxopiperazin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 377.37 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-oxopiperazin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 78866394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).