3-(4-methoxyphenyl)-4-(2,3,4-trifluorobenzoyl)piperazin-2-one

C18H15F3N2O3 — CID 110420415

IUPAC3-(4-methoxyphenyl)-4-(2,3,4-trifluorobenzoyl)piperazin-2-one
SMILESCOc1ccc(C2C(=O)NCCN2C(=O)c2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C18H15F3N2O3/c1-26-11-4-2-10(3-5-11)16-17(24)22-8-9-23(16)18(25)12-6-7-13(19)15(21)14(12)20/h2-7,16H,8-9H2,1H3,(H,22,24)
InChIKeyYLNOEOKNMOVNJF-UHFFFAOYSA-N
MW364.32 g/mol
LogP2.43
Rot. Bonds3

About 3-(4-methoxyphenyl)-4-(2,3,4-trifluorobenzoyl)piperazin-2-one

3-(4-methoxyphenyl)-4-(2,3,4-trifluorobenzoyl)piperazin-2-one (PubChem CID 110420415) has the molecular formula C18H15F3N2O3 and a molecular weight of 364.32 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4-(2,3,4-trifluorobenzoyl)piperazin-2-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-4-(2,3,4-trifluorobenzoyl)piperazin-2-one
PubChem CID110420415
Molecular FormulaC18H15F3N2O3
Molecular Weight364.32 g/mol
Exact Mass364.10
IUPAC Name3-(4-methoxyphenyl)-4-(2,3,4-trifluorobenzoyl)piperazin-2-one
SMILESCOc1ccc(C2C(=O)NCCN2C(=O)c2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C18H15F3N2O3/c1-26-11-4-2-10(3-5-11)16-17(24)22-8-9-23(16)18(25)12-6-7-13(19)15(21)14(12)20/h2-7,16H,8-9H2,1H3,(H,22,24)
InChIKeyYLNOEOKNMOVNJF-UHFFFAOYSA-N
XLogP2.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3,5-dimethoxybenzoyl)-3-(4-methoxyphenyl)piperazin-2-one
CID 110644929
4-(adamantane-1-carbonyl)-3-(4-methoxyphenyl)piperazin-2-one
CID 110644969
4-[2-(4-fluorophenyl)acetyl]-3-(4-methoxyphenyl)piperazin-2-one
CID 110420396
3-(4-fluorophenyl)-4-[2-(4-methoxyphenyl)-3-methylbutanoyl]piperazin-2-one
CID 110620016
4-[2-(4-chlorophenoxy)acetyl]-3-(4-methoxyphenyl)piperazin-2-one
CID 110644941
4-(2-fluorobenzoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428490
3-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)propanoyl]piperazin-2-one
CID 110420424
4-(cyclohexanecarbonyl)-3-(4-methoxyphenyl)piperazin-2-one
CID 110644909
1-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione
CID 110426013
4-(2,2-dimethylpropanoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428483
4-(2-bromobenzoyl)-3-(4-chlorophenyl)piperazin-2-one
CID 110644742
4-(2,2-dimethyl-3H-1-benzofuran-7-carbonyl)-3-[4-(trifluoromethoxy)phenyl]piperazin-2-one
CID 154873271

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-4-(2,3,4-trifluorobenzoyl)piperazin-2-one?
The IUPAC name of 3-(4-methoxyphenyl)-4-(2,3,4-trifluorobenzoyl)piperazin-2-one (CID 110420415) is 3-(4-methoxyphenyl)-4-(2,3,4-trifluorobenzoyl)piperazin-2-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-4-(2,3,4-trifluorobenzoyl)piperazin-2-one?
The canonical SMILES for 3-(4-methoxyphenyl)-4-(2,3,4-trifluorobenzoyl)piperazin-2-one is COc1ccc(C2C(=O)NCCN2C(=O)c2ccc(F)c(F)c2F)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-4-(2,3,4-trifluorobenzoyl)piperazin-2-one?
The InChIKey is YLNOEOKNMOVNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O3/c1-26-11-4-2-10(3-5-11)16-17(24)22-8-9-23(16)18(25)12-6-7-13(19)15(21)14(12)20/h2-7,16H,8-9H2,1H3,(H,22,24).
What are the key properties of 3-(4-methoxyphenyl)-4-(2,3,4-trifluorobenzoyl)piperazin-2-one?
3-(4-methoxyphenyl)-4-(2,3,4-trifluorobenzoyl)piperazin-2-one has a molecular weight of 364.32 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-4-(2,3,4-trifluorobenzoyl)piperazin-2-one is sourced from PubChem (CID 110420415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).