1-methyl-3-(3,3,3-trifluoropropyl)piperazin-2-one

C8H13F3N2O — CID 178039842

IUPAC1-methyl-3-(3,3,3-trifluoropropyl)piperazin-2-one
SMILESCN1CCNC(CCC(F)(F)F)C1=O
InChIInChI=1S/C8H13F3N2O/c1-13-5-4-12-6(7(13)14)2-3-8(9,10)11/h6,12H,2-5H2,1H3
InChIKeyKZIUAMNRJGWYPD-UHFFFAOYSA-N
MW210.20 g/mol
LogP0.76
Rot. Bonds2

About 1-methyl-3-(3,3,3-trifluoropropyl)piperazin-2-one

1-methyl-3-(3,3,3-trifluoropropyl)piperazin-2-one (PubChem CID 178039842) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is 1-methyl-3-(3,3,3-trifluoropropyl)piperazin-2-one.

Molecular Properties

Compound Name1-methyl-3-(3,3,3-trifluoropropyl)piperazin-2-one
PubChem CID178039842
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC Name1-methyl-3-(3,3,3-trifluoropropyl)piperazin-2-one
SMILESCN1CCNC(CCC(F)(F)F)C1=O
InChIInChI=1S/C8H13F3N2O/c1-13-5-4-12-6(7(13)14)2-3-8(9,10)11/h6,12H,2-5H2,1H3
InChIKeyKZIUAMNRJGWYPD-UHFFFAOYSA-N
XLogP0.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methyl-3-(3,3,3-trifluoropropyl)piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-hydroxyethyl)-1-methylpiperazin-2-one;dihydrochloride
CID 154852977
3-[(3,5-dimethylphenyl)methyl]-1-methylpiperazin-2-one
CID 116817295
5-butyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 83255355
N,N-diethyl-2-(4-methyl-3-oxopiperazin-2-yl)acetamide;hydrochloride
CID 110282446
1-methyl-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one;hydrochloride
CID 110282452
1,3-dimethylpiperazin-2-one;ethane
CID 163399035
(3S)-1-methyl-3-[(4-phenylphenyl)methyl]piperazin-2-one
CID 95813127
N-(2-methoxyethyl)-2-(4-methyl-3-oxopiperazin-2-yl)acetamide
CID 110282494
N-ethyl-N-(2-hydroxyethyl)-2-(4-methyl-3-oxopiperazin-2-yl)acetamide;hydrochloride
CID 110282464
3-[(3-methoxyphenyl)methyl]-1-methylpiperazin-2-one
CID 116817312
(3R)-3-methyl-1-(3,3,3-trifluoropropyl)piperazine
CID 104975435
1-cyclopropyl-3-propylpiperazin-2-one;hydrochloride
CID 178039899

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3,3,3-trifluoropropyl)piperazin-2-one?
The IUPAC name of 1-methyl-3-(3,3,3-trifluoropropyl)piperazin-2-one (CID 178039842) is 1-methyl-3-(3,3,3-trifluoropropyl)piperazin-2-one.
What is the SMILES notation for 1-methyl-3-(3,3,3-trifluoropropyl)piperazin-2-one?
The canonical SMILES for 1-methyl-3-(3,3,3-trifluoropropyl)piperazin-2-one is CN1CCNC(CCC(F)(F)F)C1=O.
What is the InChIKey of 1-methyl-3-(3,3,3-trifluoropropyl)piperazin-2-one?
The InChIKey is KZIUAMNRJGWYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O/c1-13-5-4-12-6(7(13)14)2-3-8(9,10)11/h6,12H,2-5H2,1H3.
What are the key properties of 1-methyl-3-(3,3,3-trifluoropropyl)piperazin-2-one?
1-methyl-3-(3,3,3-trifluoropropyl)piperazin-2-one has a molecular weight of 210.20 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3,3,3-trifluoropropyl)piperazin-2-one is sourced from PubChem (CID 178039842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).