1-(2-pyridin-3-ylpiperazin-1-yl)-3-[2-(trifluoromethoxy)phenyl]propan-1-one

C19H20F3N3O2 — CID 120729948

IUPAC1-(2-pyridin-3-ylpiperazin-1-yl)-3-[2-(trifluoromethoxy)phenyl]propan-1-one
SMILESO=C(CCc1ccccc1OC(F)(F)F)N1CCNCC1c1cccnc1
InChIInChI=1S/C19H20F3N3O2/c20-19(21,22)27-17-6-2-1-4-14(17)7-8-18(26)25-11-10-24-13-16(25)15-5-3-9-23-12-15/h1-6,9,12,16,24H,7-8,10-11,13H2
InChIKeyZWPVNAYFOSFFTC-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.09
Rot. Bonds5

About 1-(2-pyridin-3-ylpiperazin-1-yl)-3-[2-(trifluoromethoxy)phenyl]propan-1-one

1-(2-pyridin-3-ylpiperazin-1-yl)-3-[2-(trifluoromethoxy)phenyl]propan-1-one (PubChem CID 120729948) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is 1-(2-pyridin-3-ylpiperazin-1-yl)-3-[2-(trifluoromethoxy)phenyl]propan-1-one.

Molecular Properties

Compound Name1-(2-pyridin-3-ylpiperazin-1-yl)-3-[2-(trifluoromethoxy)phenyl]propan-1-one
PubChem CID120729948
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC Name1-(2-pyridin-3-ylpiperazin-1-yl)-3-[2-(trifluoromethoxy)phenyl]propan-1-one
SMILESO=C(CCc1ccccc1OC(F)(F)F)N1CCNCC1c1cccnc1
InChIInChI=1S/C19H20F3N3O2/c20-19(21,22)27-17-6-2-1-4-14(17)7-8-18(26)25-11-10-24-13-16(25)15-5-3-9-23-12-15/h1-6,9,12,16,24H,7-8,10-11,13H2
InChIKeyZWPVNAYFOSFFTC-UHFFFAOYSA-N
XLogP3.09
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-pyridin-3-ylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
CID 120729581
3-(2-fluorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120731728
(2-pyridin-3-ylpiperazin-1-yl)-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone;hydrochloride
CID 120730359
3-(4-chlorophenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120732059
3-(4-bromophenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120730560
3-naphthalen-2-yl-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120732001
4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one
CID 120729213
3-(2-phenylphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;hydrochloride
CID 120732026
4-cyclohexyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120729739
N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]-2-phenylacetamide;hydrochloride
CID 120730149
2,2-dimethyl-N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]propanamide
CID 120731122
4-(3,4-difluorophenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120728910

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-3-ylpiperazin-1-yl)-3-[2-(trifluoromethoxy)phenyl]propan-1-one?
The IUPAC name of 1-(2-pyridin-3-ylpiperazin-1-yl)-3-[2-(trifluoromethoxy)phenyl]propan-1-one (CID 120729948) is 1-(2-pyridin-3-ylpiperazin-1-yl)-3-[2-(trifluoromethoxy)phenyl]propan-1-one.
What is the SMILES notation for 1-(2-pyridin-3-ylpiperazin-1-yl)-3-[2-(trifluoromethoxy)phenyl]propan-1-one?
The canonical SMILES for 1-(2-pyridin-3-ylpiperazin-1-yl)-3-[2-(trifluoromethoxy)phenyl]propan-1-one is O=C(CCc1ccccc1OC(F)(F)F)N1CCNCC1c1cccnc1.
What is the InChIKey of 1-(2-pyridin-3-ylpiperazin-1-yl)-3-[2-(trifluoromethoxy)phenyl]propan-1-one?
The InChIKey is ZWPVNAYFOSFFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c20-19(21,22)27-17-6-2-1-4-14(17)7-8-18(26)25-11-10-24-13-16(25)15-5-3-9-23-12-15/h1-6,9,12,16,24H,7-8,10-11,13H2.
What are the key properties of 1-(2-pyridin-3-ylpiperazin-1-yl)-3-[2-(trifluoromethoxy)phenyl]propan-1-one?
1-(2-pyridin-3-ylpiperazin-1-yl)-3-[2-(trifluoromethoxy)phenyl]propan-1-one has a molecular weight of 379.38 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-3-ylpiperazin-1-yl)-3-[2-(trifluoromethoxy)phenyl]propan-1-one is sourced from PubChem (CID 120729948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).