3,3-diphenyl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]piperidin-2-one

C31H34F3N3O — CID 67359428

IUPAC3,3-diphenyl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]piperidin-2-one
SMILESO=C1N(CCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CCCC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H34F3N3O/c32-31(33,34)27-14-7-15-28(24-27)36-22-20-35(21-23-36)17-9-19-37-18-8-16-30(29(37)38,25-10-3-1-4-11-25)26-12-5-2-6-13-26/h1-7,10-15,24H,8-9,16-23H2
InChIKeyPSDXKUXGRHFXFG-UHFFFAOYSA-N
MW521.63 g/mol
LogP5.83
Rot. Bonds7

About 3,3-diphenyl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]piperidin-2-one

3,3-diphenyl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]piperidin-2-one (PubChem CID 67359428) has the molecular formula C31H34F3N3O and a molecular weight of 521.63 g/mol. Its IUPAC name is 3,3-diphenyl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]piperidin-2-one.

Molecular Properties

Compound Name3,3-diphenyl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]piperidin-2-one
PubChem CID67359428
Molecular FormulaC31H34F3N3O
Molecular Weight521.63 g/mol
Exact Mass521.27
IUPAC Name3,3-diphenyl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]piperidin-2-one
SMILESO=C1N(CCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CCCC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H34F3N3O/c32-31(33,34)27-14-7-15-28(24-27)36-22-20-35(21-23-36)17-9-19-37-18-8-16-30(29(37)38,25-10-3-1-4-11-25)26-12-5-2-6-13-26/h1-7,10-15,24H,8-9,16-23H2
InChIKeyPSDXKUXGRHFXFG-UHFFFAOYSA-N
XLogP5.83
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.63
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 10574711
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CID 2842516

Frequently Asked Questions

What is the IUPAC name of 3,3-diphenyl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]piperidin-2-one?
The IUPAC name of 3,3-diphenyl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]piperidin-2-one (CID 67359428) is 3,3-diphenyl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]piperidin-2-one.
What is the SMILES notation for 3,3-diphenyl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]piperidin-2-one?
The canonical SMILES for 3,3-diphenyl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]piperidin-2-one is O=C1N(CCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CCCC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 3,3-diphenyl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]piperidin-2-one?
The InChIKey is PSDXKUXGRHFXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34F3N3O/c32-31(33,34)27-14-7-15-28(24-27)36-22-20-35(21-23-36)17-9-19-37-18-8-16-30(29(37)38,25-10-3-1-4-11-25)26-12-5-2-6-13-26/h1-7,10-15,24H,8-9,16-23H2.
What are the key properties of 3,3-diphenyl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]piperidin-2-one?
3,3-diphenyl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]piperidin-2-one has a molecular weight of 521.63 g/mol, XLogP of 5.83, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenyl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]piperidin-2-one is sourced from PubChem (CID 67359428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).