pyrrolidin-3-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

C11H18F3N3O — CID 63005475

IUPACpyrrolidin-3-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESO=C(C1CCNC1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H18F3N3O/c12-11(13,14)8-16-3-5-17(6-4-16)10(18)9-1-2-15-7-9/h9,15H,1-8H2
InChIKeyUPQIDVLXGBOSNZ-UHFFFAOYSA-N
MW265.28 g/mol
LogP0.30
Rot. Bonds2

About pyrrolidin-3-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

pyrrolidin-3-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (PubChem CID 63005475) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is pyrrolidin-3-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namepyrrolidin-3-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
PubChem CID63005475
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Namepyrrolidin-3-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESO=C(C1CCNC1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H18F3N3O/c12-11(13,14)8-16-3-5-17(6-4-16)10(18)9-1-2-15-7-9/h9,15H,1-8H2
InChIKeyUPQIDVLXGBOSNZ-UHFFFAOYSA-N
XLogP0.30
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze pyrrolidin-3-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone 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

piperidin-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 61259794
pyrrolidin-3-yl-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone
CID 119887988
(4-propylpiperazin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone
CID 94915615
3-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propanoic acid
CID 63006582
cyclobutyl-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone
CID 78870570
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 119876051
(4-methylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone
CID 94915356
1-piperidin-1-yl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119837309
[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 177134798
piperidin-2-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 61259978
[4-(2-ethoxyethyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone
CID 119843367

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-3-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The IUPAC name of pyrrolidin-3-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (CID 63005475) is pyrrolidin-3-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.
What is the SMILES notation for pyrrolidin-3-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The canonical SMILES for pyrrolidin-3-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is O=C(C1CCNC1)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of pyrrolidin-3-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The InChIKey is UPQIDVLXGBOSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c12-11(13,14)8-16-3-5-17(6-4-16)10(18)9-1-2-15-7-9/h9,15H,1-8H2.
What are the key properties of pyrrolidin-3-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
pyrrolidin-3-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone has a molecular weight of 265.28 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-3-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 63005475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).