1-(4-cyclopentylpiperazin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone

C18H23F3N2O2 — CID 18456279

IUPAC1-(4-cyclopentylpiperazin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone
SMILESO=C(Cc1cccc(OC(F)(F)F)c1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C18H23F3N2O2/c19-18(20,21)25-16-7-3-4-14(12-16)13-17(24)23-10-8-22(9-11-23)15-5-1-2-6-15/h3-4,7,12,15H,1-2,5-6,8-11,13H2
InChIKeyTWVYQMSOTVIVSC-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.21
Rot. Bonds4

About 1-(4-cyclopentylpiperazin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone

1-(4-cyclopentylpiperazin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone (PubChem CID 18456279) has the molecular formula C18H23F3N2O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 1-(4-cyclopentylpiperazin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-(4-cyclopentylpiperazin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone
PubChem CID18456279
Molecular FormulaC18H23F3N2O2
Molecular Weight356.39 g/mol
Exact Mass356.17
IUPAC Name1-(4-cyclopentylpiperazin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone
SMILESO=C(Cc1cccc(OC(F)(F)F)c1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C18H23F3N2O2/c19-18(20,21)25-16-7-3-4-14(12-16)13-17(24)23-10-8-22(9-11-23)15-5-1-2-6-15/h3-4,7,12,15H,1-2,5-6,8-11,13H2
InChIKeyTWVYQMSOTVIVSC-UHFFFAOYSA-N
XLogP3.21
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-cyclobutylpiperazin-1-yl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]-2-[3-(trifluoromethoxy)phenyl]ethanone
CID 59670424
1-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 57442714
2-phenyl-1-[3-[[3-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]ethanone
CID 42844188
2-(3-benzoylphenyl)-1-(4-cycloheptylpiperazin-1-yl)ethanone
CID 12805065
1-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-2-[3-(difluoromethoxy)phenyl]ethanone
CID 95333960
1-(4-cyclopentylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 110708885
3-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxoethyl]benzoic acid
CID 167806415
5-amino-3-[(3S)-1-[2-[3-(trifluoromethoxy)phenyl]acetyl]piperidin-3-yl]-1H-benzimidazol-2-one
CID 178098716
3-cyclopentyl-6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-3-azabicyclo[3.1.0]hexane
CID 173110524
1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-[3-(trifluoromethoxy)phenyl]pyrazin-2-yl]piperazin-1-yl]ethanone
CID 57442993
1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110817966
1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[3-(trifluoromethoxy)phenyl]ethanone
CID 59261643

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone?
The IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone (CID 18456279) is 1-(4-cyclopentylpiperazin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone.
What is the SMILES notation for 1-(4-cyclopentylpiperazin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone?
The canonical SMILES for 1-(4-cyclopentylpiperazin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone is O=C(Cc1cccc(OC(F)(F)F)c1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-(4-cyclopentylpiperazin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone?
The InChIKey is TWVYQMSOTVIVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O2/c19-18(20,21)25-16-7-3-4-14(12-16)13-17(24)23-10-8-22(9-11-23)15-5-1-2-6-15/h3-4,7,12,15H,1-2,5-6,8-11,13H2.
What are the key properties of 1-(4-cyclopentylpiperazin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone?
1-(4-cyclopentylpiperazin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone has a molecular weight of 356.39 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylpiperazin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone is sourced from PubChem (CID 18456279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).