6-chloro-3-piperazin-1-yl-3-(trifluoromethyl)-1H-indol-2-one

C13H13ClF3N3O — CID 3236265

IUPAC6-chloro-3-piperazin-1-yl-3-(trifluoromethyl)-1H-indol-2-one
SMILESO=C1Nc2cc(Cl)ccc2C1(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C13H13ClF3N3O/c14-8-1-2-9-10(7-8)19-11(21)12(9,13(15,16)17)20-5-3-18-4-6-20/h1-2,7,18H,3-6H2,(H,19,21)
InChIKeyFMPIJHWDYDDVOJ-UHFFFAOYSA-N
MW319.71 g/mol
LogP1.95
Rot. Bonds1

About 6-chloro-3-piperazin-1-yl-3-(trifluoromethyl)-1H-indol-2-one

6-chloro-3-piperazin-1-yl-3-(trifluoromethyl)-1H-indol-2-one (PubChem CID 3236265) has the molecular formula C13H13ClF3N3O and a molecular weight of 319.71 g/mol. Its IUPAC name is 6-chloro-3-piperazin-1-yl-3-(trifluoromethyl)-1H-indol-2-one.

Molecular Properties

Compound Name6-chloro-3-piperazin-1-yl-3-(trifluoromethyl)-1H-indol-2-one
PubChem CID3236265
Molecular FormulaC13H13ClF3N3O
Molecular Weight319.71 g/mol
Exact Mass319.07
IUPAC Name6-chloro-3-piperazin-1-yl-3-(trifluoromethyl)-1H-indol-2-one
SMILESO=C1Nc2cc(Cl)ccc2C1(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C13H13ClF3N3O/c14-8-1-2-9-10(7-8)19-11(21)12(9,13(15,16)17)20-5-3-18-4-6-20/h1-2,7,18H,3-6H2,(H,19,21)
InChIKeyFMPIJHWDYDDVOJ-UHFFFAOYSA-N
XLogP1.95
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.71
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-piperazin-1-yl-3-(trifluoromethyl)-1H-indol-2-one?
The IUPAC name of 6-chloro-3-piperazin-1-yl-3-(trifluoromethyl)-1H-indol-2-one (CID 3236265) is 6-chloro-3-piperazin-1-yl-3-(trifluoromethyl)-1H-indol-2-one.
What is the SMILES notation for 6-chloro-3-piperazin-1-yl-3-(trifluoromethyl)-1H-indol-2-one?
The canonical SMILES for 6-chloro-3-piperazin-1-yl-3-(trifluoromethyl)-1H-indol-2-one is O=C1Nc2cc(Cl)ccc2C1(N1CCNCC1)C(F)(F)F.
What is the InChIKey of 6-chloro-3-piperazin-1-yl-3-(trifluoromethyl)-1H-indol-2-one?
The InChIKey is FMPIJHWDYDDVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF3N3O/c14-8-1-2-9-10(7-8)19-11(21)12(9,13(15,16)17)20-5-3-18-4-6-20/h1-2,7,18H,3-6H2,(H,19,21).
What are the key properties of 6-chloro-3-piperazin-1-yl-3-(trifluoromethyl)-1H-indol-2-one?
6-chloro-3-piperazin-1-yl-3-(trifluoromethyl)-1H-indol-2-one has a molecular weight of 319.71 g/mol, XLogP of 1.95, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-piperazin-1-yl-3-(trifluoromethyl)-1H-indol-2-one is sourced from PubChem (CID 3236265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).