4-[2-[2-ethoxy-5-(trifluoromethyl)anilino]acetyl]piperazin-2-one

C15H18F3N3O3 — CID 60587676

IUPAC4-[2-[2-ethoxy-5-(trifluoromethyl)anilino]acetyl]piperazin-2-one
SMILESCCOc1ccc(C(F)(F)F)cc1NCC(=O)N1CCNC(=O)C1
InChIInChI=1S/C15H18F3N3O3/c1-2-24-12-4-3-10(15(16,17)18)7-11(12)20-8-14(23)21-6-5-19-13(22)9-21/h3-4,7,20H,2,5-6,8-9H2,1H3,(H,19,22)
InChIKeyRLZCSDDXHFZVSP-UHFFFAOYSA-N
MW345.32 g/mol
LogP1.47
Rot. Bonds5

About 4-[2-[2-ethoxy-5-(trifluoromethyl)anilino]acetyl]piperazin-2-one

4-[2-[2-ethoxy-5-(trifluoromethyl)anilino]acetyl]piperazin-2-one (PubChem CID 60587676) has the molecular formula C15H18F3N3O3 and a molecular weight of 345.32 g/mol. Its IUPAC name is 4-[2-[2-ethoxy-5-(trifluoromethyl)anilino]acetyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-[2-ethoxy-5-(trifluoromethyl)anilino]acetyl]piperazin-2-one
PubChem CID60587676
Molecular FormulaC15H18F3N3O3
Molecular Weight345.32 g/mol
Exact Mass345.13
IUPAC Name4-[2-[2-ethoxy-5-(trifluoromethyl)anilino]acetyl]piperazin-2-one
SMILESCCOc1ccc(C(F)(F)F)cc1NCC(=O)N1CCNC(=O)C1
InChIInChI=1S/C15H18F3N3O3/c1-2-24-12-4-3-10(15(16,17)18)7-11(12)20-8-14(23)21-6-5-19-13(22)9-21/h3-4,7,20H,2,5-6,8-9H2,1H3,(H,19,22)
InChIKeyRLZCSDDXHFZVSP-UHFFFAOYSA-N
XLogP1.47
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-ethoxy-5-(trifluoromethyl)anilino]acetyl]piperazin-2-one?
The IUPAC name of 4-[2-[2-ethoxy-5-(trifluoromethyl)anilino]acetyl]piperazin-2-one (CID 60587676) is 4-[2-[2-ethoxy-5-(trifluoromethyl)anilino]acetyl]piperazin-2-one.
What is the SMILES notation for 4-[2-[2-ethoxy-5-(trifluoromethyl)anilino]acetyl]piperazin-2-one?
The canonical SMILES for 4-[2-[2-ethoxy-5-(trifluoromethyl)anilino]acetyl]piperazin-2-one is CCOc1ccc(C(F)(F)F)cc1NCC(=O)N1CCNC(=O)C1.
What is the InChIKey of 4-[2-[2-ethoxy-5-(trifluoromethyl)anilino]acetyl]piperazin-2-one?
The InChIKey is RLZCSDDXHFZVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O3/c1-2-24-12-4-3-10(15(16,17)18)7-11(12)20-8-14(23)21-6-5-19-13(22)9-21/h3-4,7,20H,2,5-6,8-9H2,1H3,(H,19,22).
What are the key properties of 4-[2-[2-ethoxy-5-(trifluoromethyl)anilino]acetyl]piperazin-2-one?
4-[2-[2-ethoxy-5-(trifluoromethyl)anilino]acetyl]piperazin-2-one has a molecular weight of 345.32 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-ethoxy-5-(trifluoromethyl)anilino]acetyl]piperazin-2-one is sourced from PubChem (CID 60587676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).