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

C13H14F3N3O2 — CID 2950732

IUPAC2-(3-oxopiperazin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CC1NCCNC1=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H14F3N3O2/c14-13(15,16)8-2-1-3-9(6-8)19-11(20)7-10-12(21)18-5-4-17-10/h1-3,6,10,17H,4-5,7H2,(H,18,21)(H,19,20)
InChIKeyFHLYLZNGEHIKDQ-UHFFFAOYSA-N
MW301.27 g/mol
LogP1.12
Rot. Bonds3

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

2-(3-oxopiperazin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 2950732) has the molecular formula C13H14F3N3O2 and a molecular weight of 301.27 g/mol. Its IUPAC name is 2-(3-oxopiperazin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-oxopiperazin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID2950732
Molecular FormulaC13H14F3N3O2
Molecular Weight301.27 g/mol
Exact Mass301.10
IUPAC Name2-(3-oxopiperazin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CC1NCCNC1=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H14F3N3O2/c14-13(15,16)8-2-1-3-9(6-8)19-11(20)7-10-12(21)18-5-4-17-10/h1-3,6,10,17H,4-5,7H2,(H,18,21)(H,19,20)
InChIKeyFHLYLZNGEHIKDQ-UHFFFAOYSA-N
XLogP1.12
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxopiperazin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(3-oxopiperazin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 2950732) is 2-(3-oxopiperazin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-oxopiperazin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-oxopiperazin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CC1NCCNC1=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(3-oxopiperazin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is FHLYLZNGEHIKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O2/c14-13(15,16)8-2-1-3-9(6-8)19-11(20)7-10-12(21)18-5-4-17-10/h1-3,6,10,17H,4-5,7H2,(H,18,21)(H,19,20).
What are the key properties of 2-(3-oxopiperazin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(3-oxopiperazin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 301.27 g/mol, XLogP of 1.12, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxopiperazin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2950732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).