1-[3-[4-[4-fluoro-3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one

C22H25F4N3O — CID 67311862

IUPAC1-[3-[4-[4-fluoro-3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one
SMILESO=C1CCCc2c1ccn2CCCN1CCN(c2ccc(F)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C22H25F4N3O/c23-19-6-5-16(15-18(19)22(24,25)26)28-13-11-27(12-14-28)8-2-9-29-10-7-17-20(29)3-1-4-21(17)30/h5-7,10,15H,1-4,8-9,11-14H2
InChIKeyGUPVBQPDRUVPLS-UHFFFAOYSA-N
MW423.45 g/mol
LogP4.38
Rot. Bonds5

About 1-[3-[4-[4-fluoro-3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one

1-[3-[4-[4-fluoro-3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one (PubChem CID 67311862) has the molecular formula C22H25F4N3O and a molecular weight of 423.45 g/mol. Its IUPAC name is 1-[3-[4-[4-fluoro-3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1-[3-[4-[4-fluoro-3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one
PubChem CID67311862
Molecular FormulaC22H25F4N3O
Molecular Weight423.45 g/mol
Exact Mass423.19
IUPAC Name1-[3-[4-[4-fluoro-3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one
SMILESO=C1CCCc2c1ccn2CCCN1CCN(c2ccc(F)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C22H25F4N3O/c23-19-6-5-16(15-18(19)22(24,25)26)28-13-11-27(12-14-28)8-2-9-29-10-7-17-20(29)3-1-4-21(17)30/h5-7,10,15H,1-4,8-9,11-14H2
InChIKeyGUPVBQPDRUVPLS-UHFFFAOYSA-N
XLogP4.38
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[4-fluoro-3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1-[3-[4-[4-fluoro-3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one (CID 67311862) is 1-[3-[4-[4-fluoro-3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1-[3-[4-[4-fluoro-3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1-[3-[4-[4-fluoro-3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one is O=C1CCCc2c1ccn2CCCN1CCN(c2ccc(F)c(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[3-[4-[4-fluoro-3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one?
The InChIKey is GUPVBQPDRUVPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F4N3O/c23-19-6-5-16(15-18(19)22(24,25)26)28-13-11-27(12-14-28)8-2-9-29-10-7-17-20(29)3-1-4-21(17)30/h5-7,10,15H,1-4,8-9,11-14H2.
What are the key properties of 1-[3-[4-[4-fluoro-3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one?
1-[3-[4-[4-fluoro-3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one has a molecular weight of 423.45 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[4-fluoro-3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 67311862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).