6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]hexan-3-one

C16H22F3N3O — CID 91252320

IUPAC6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]hexan-3-one
SMILESCCC(=O)CCCN1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C16H22F3N3O/c1-2-14(23)4-3-7-21-8-10-22(11-9-21)15-6-5-13(12-20-15)16(17,18)19/h5-6,12H,2-4,7-11H2,1H3
InChIKeyPKKFXSRTJULKPX-UHFFFAOYSA-N
MW329.37 g/mol
LogP2.98
Rot. Bonds6

About 6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]hexan-3-one

6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]hexan-3-one (PubChem CID 91252320) has the molecular formula C16H22F3N3O and a molecular weight of 329.37 g/mol. Its IUPAC name is 6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]hexan-3-one.

Molecular Properties

Compound Name6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]hexan-3-one
PubChem CID91252320
Molecular FormulaC16H22F3N3O
Molecular Weight329.37 g/mol
Exact Mass329.17
IUPAC Name6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]hexan-3-one
SMILESCCC(=O)CCCN1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C16H22F3N3O/c1-2-14(23)4-3-7-21-8-10-22(11-9-21)15-6-5-13(12-20-15)16(17,18)19/h5-6,12H,2-4,7-11H2,1H3
InChIKeyPKKFXSRTJULKPX-UHFFFAOYSA-N
XLogP2.98
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]hexan-3-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-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 38559713
N,N-diethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 78788187
N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanamine
CID 174557120
N-butyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 9288574
4-(4-phenylpiperazin-1-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]butanamide
CID 58577214
1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355
1-(2-pyrazol-1-ylethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 47521346
1-(azepan-1-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 78788182
N-methyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]acetamide
CID 51561809
N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]propanamide
CID 37096307
4-methyl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pentan-1-one
CID 78772282
N-(4-methylphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 29107496

Frequently Asked Questions

What is the IUPAC name of 6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]hexan-3-one?
The IUPAC name of 6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]hexan-3-one (CID 91252320) is 6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]hexan-3-one.
What is the SMILES notation for 6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]hexan-3-one?
The canonical SMILES for 6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]hexan-3-one is CCC(=O)CCCN1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]hexan-3-one?
The InChIKey is PKKFXSRTJULKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O/c1-2-14(23)4-3-7-21-8-10-22(11-9-21)15-6-5-13(12-20-15)16(17,18)19/h5-6,12H,2-4,7-11H2,1H3.
What are the key properties of 6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]hexan-3-one?
6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]hexan-3-one has a molecular weight of 329.37 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]hexan-3-one is sourced from PubChem (CID 91252320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).