1-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone

C13H21F3N2O — CID 113448813

IUPAC1-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(CC(F)(F)F)CC1)C1CCCC1
InChIInChI=1S/C13H21F3N2O/c14-13(15,16)10-18-7-5-17(6-8-18)9-12(19)11-3-1-2-4-11/h11H,1-10H2
InChIKeyOPSOPFSCNCOERV-UHFFFAOYSA-N
MW278.32 g/mol
LogP1.93
Rot. Bonds4

About 1-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone

1-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone (PubChem CID 113448813) has the molecular formula C13H21F3N2O and a molecular weight of 278.32 g/mol. Its IUPAC name is 1-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
PubChem CID113448813
Molecular FormulaC13H21F3N2O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC Name1-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(CC(F)(F)F)CC1)C1CCCC1
InChIInChI=1S/C13H21F3N2O/c14-13(15,16)10-18-7-5-17(6-8-18)9-12(19)11-3-1-2-4-11/h11H,1-10H2
InChIKeyOPSOPFSCNCOERV-UHFFFAOYSA-N
XLogP1.93
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone (CID 113448813) is 1-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone is O=C(CN1CCN(CC(F)(F)F)CC1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
The InChIKey is OPSOPFSCNCOERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O/c14-13(15,16)10-18-7-5-17(6-8-18)9-12(19)11-3-1-2-4-11/h11H,1-10H2.
What are the key properties of 1-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
1-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone has a molecular weight of 278.32 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 113448813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).