3-piperazin-1-yl-1-[3-(2,4,5-trifluorophenyl)propyl]pyrazin-2-one

C17H19F3N4O — CID 11725547

IUPAC3-piperazin-1-yl-1-[3-(2,4,5-trifluorophenyl)propyl]pyrazin-2-one
SMILESO=c1c(N2CCNCC2)nccn1CCCc1cc(F)c(F)cc1F
InChIInChI=1S/C17H19F3N4O/c18-13-11-15(20)14(19)10-12(13)2-1-6-24-9-5-22-16(17(24)25)23-7-3-21-4-8-23/h5,9-11,21H,1-4,6-8H2
InChIKeyXUQYVPJNGCVSDP-UHFFFAOYSA-N
MW352.36 g/mol
LogP1.70
Rot. Bonds5

About 3-piperazin-1-yl-1-[3-(2,4,5-trifluorophenyl)propyl]pyrazin-2-one

3-piperazin-1-yl-1-[3-(2,4,5-trifluorophenyl)propyl]pyrazin-2-one (PubChem CID 11725547) has the molecular formula C17H19F3N4O and a molecular weight of 352.36 g/mol. Its IUPAC name is 3-piperazin-1-yl-1-[3-(2,4,5-trifluorophenyl)propyl]pyrazin-2-one.

Molecular Properties

Compound Name3-piperazin-1-yl-1-[3-(2,4,5-trifluorophenyl)propyl]pyrazin-2-one
PubChem CID11725547
Molecular FormulaC17H19F3N4O
Molecular Weight352.36 g/mol
Exact Mass352.15
IUPAC Name3-piperazin-1-yl-1-[3-(2,4,5-trifluorophenyl)propyl]pyrazin-2-one
SMILESO=c1c(N2CCNCC2)nccn1CCCc1cc(F)c(F)cc1F
InChIInChI=1S/C17H19F3N4O/c18-13-11-15(20)14(19)10-12(13)2-1-6-24-9-5-22-16(17(24)25)23-7-3-21-4-8-23/h5,9-11,21H,1-4,6-8H2
InChIKeyXUQYVPJNGCVSDP-UHFFFAOYSA-N
XLogP1.70
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-1-[3-(2,4,5-trifluorophenyl)propyl]pyrazin-2-one?
The IUPAC name of 3-piperazin-1-yl-1-[3-(2,4,5-trifluorophenyl)propyl]pyrazin-2-one (CID 11725547) is 3-piperazin-1-yl-1-[3-(2,4,5-trifluorophenyl)propyl]pyrazin-2-one.
What is the SMILES notation for 3-piperazin-1-yl-1-[3-(2,4,5-trifluorophenyl)propyl]pyrazin-2-one?
The canonical SMILES for 3-piperazin-1-yl-1-[3-(2,4,5-trifluorophenyl)propyl]pyrazin-2-one is O=c1c(N2CCNCC2)nccn1CCCc1cc(F)c(F)cc1F.
What is the InChIKey of 3-piperazin-1-yl-1-[3-(2,4,5-trifluorophenyl)propyl]pyrazin-2-one?
The InChIKey is XUQYVPJNGCVSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O/c18-13-11-15(20)14(19)10-12(13)2-1-6-24-9-5-22-16(17(24)25)23-7-3-21-4-8-23/h5,9-11,21H,1-4,6-8H2.
What are the key properties of 3-piperazin-1-yl-1-[3-(2,4,5-trifluorophenyl)propyl]pyrazin-2-one?
3-piperazin-1-yl-1-[3-(2,4,5-trifluorophenyl)propyl]pyrazin-2-one has a molecular weight of 352.36 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-1-[3-(2,4,5-trifluorophenyl)propyl]pyrazin-2-one is sourced from PubChem (CID 11725547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).