1-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-one

C12H16F3N3O — CID 63280381

IUPAC1-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1CCN1CCNCC1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)10-1-2-11(19)18(9-10)8-7-17-5-3-16-4-6-17/h1-2,9,16H,3-8H2
InChIKeyOFBLDXGSFXDVGJ-UHFFFAOYSA-N
MW275.27 g/mol
LogP0.77
Rot. Bonds3

About 1-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-one

1-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-one (PubChem CID 63280381) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 1-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-one
PubChem CID63280381
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name1-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1CCN1CCNCC1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)10-1-2-11(19)18(9-10)8-7-17-5-3-16-4-6-17/h1-2,9,16H,3-8H2
InChIKeyOFBLDXGSFXDVGJ-UHFFFAOYSA-N
XLogP0.77
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(methylamino)propyl]-5-(trifluoromethyl)pyridin-2-one
CID 63279700
N-(2-piperazin-1-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 119966218
1-[2-(cyclopentylmethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 63280128
N-(2-piperazin-1-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119447265
N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119391119
methyl 4-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanoate
CID 55026654
1-[[(2R)-pyrrolidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
CID 95386384
N-methyl-2-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 63267585
1-[4-(propan-2-ylamino)butyl]-5-(trifluoromethyl)pyridin-2-one
CID 63279830
1-(3-azidopropyl)-5-(trifluoromethyl)pyridin-2-one
CID 63279911
potassium trifluoro-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]boranuide
CID 63703622
1-prop-2-ynyl-5-(trifluoromethyl)pyridin-2-one
CID 60643629

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-one (CID 63280381) is 1-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-one is O=c1ccc(C(F)(F)F)cn1CCN1CCNCC1.
What is the InChIKey of 1-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is OFBLDXGSFXDVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c13-12(14,15)10-1-2-11(19)18(9-10)8-7-17-5-3-16-4-6-17/h1-2,9,16H,3-8H2.
What are the key properties of 1-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-one?
1-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 275.27 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 63280381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).