3,3-diphenyl-1-[4-[phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propan-1-one

C33H31F3N2O — CID 11756714

IUPAC3,3-diphenyl-1-[4-[phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propan-1-one
SMILESO=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C33H31F3N2O/c34-33(35,36)29-18-16-28(17-19-29)32(27-14-8-3-9-15-27)38-22-20-37(21-23-38)31(39)24-30(25-10-4-1-5-11-25)26-12-6-2-7-13-26/h1-19,30,32H,20-24H2
InChIKeyJCEFNPWMPAOQID-UHFFFAOYSA-N
MW528.62 g/mol
LogP7.16
Rot. Bonds7

About 3,3-diphenyl-1-[4-[phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propan-1-one

3,3-diphenyl-1-[4-[phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propan-1-one (PubChem CID 11756714) has the molecular formula C33H31F3N2O and a molecular weight of 528.62 g/mol. Its IUPAC name is 3,3-diphenyl-1-[4-[phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3,3-diphenyl-1-[4-[phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propan-1-one
PubChem CID11756714
Molecular FormulaC33H31F3N2O
Molecular Weight528.62 g/mol
Exact Mass528.24
IUPAC Name3,3-diphenyl-1-[4-[phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propan-1-one
SMILESO=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C33H31F3N2O/c34-33(35,36)29-18-16-28(17-19-29)32(27-14-8-3-9-15-27)38-22-20-37(21-23-38)31(39)24-30(25-10-4-1-5-11-25)26-12-6-2-7-13-26/h1-19,30,32H,20-24H2
InChIKeyJCEFNPWMPAOQID-UHFFFAOYSA-N
XLogP7.16
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.62
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,3-diphenyl-1-[4-[phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

Z-160
CID 4988454
(4-Benzhydrylpiperazin-1-yl)(cyclohexyl)methanone
CID 994313
N-Methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-2-(4-trifluoromethyl-phenyl)-acetamide
CID 9821780
1-(1-Phenyl-2-pyrrolidin-1-yl-ethyl)-3-(4-trifluoromethyl-phenyl)-1,3,4,7-tetrahydro-azepin-2-one
CID 22573217
Dpi-221
CID 9891642
(4R,5R)-5-amino-1-benzyl-4-(2,4,5-trifluorophenyl)piperidin-2-one
CID 16204463
1-[(1S)-1-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 10069687
1-[1-(piperidin-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 15697369
Piperazine, 1-(2-fluorobenzoyl)-4-diphenylacetyl-
CID 579768
6,6-diphenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexan-1-one
CID 9890105
3,3-Diphenyl-1-[4-[phenyl-[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propan-1-one
CID 9984406
1-[4-[(2-Chlorophenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 10005964

Frequently Asked Questions

What is the IUPAC name of 3,3-diphenyl-1-[4-[phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3,3-diphenyl-1-[4-[phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propan-1-one (CID 11756714) is 3,3-diphenyl-1-[4-[phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3,3-diphenyl-1-[4-[phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3,3-diphenyl-1-[4-[phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propan-1-one is O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 3,3-diphenyl-1-[4-[phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propan-1-one?
The InChIKey is JCEFNPWMPAOQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31F3N2O/c34-33(35,36)29-18-16-28(17-19-29)32(27-14-8-3-9-15-27)38-22-20-37(21-23-38)31(39)24-30(25-10-4-1-5-11-25)26-12-6-2-7-13-26/h1-19,30,32H,20-24H2.
What are the key properties of 3,3-diphenyl-1-[4-[phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propan-1-one?
3,3-diphenyl-1-[4-[phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propan-1-one has a molecular weight of 528.62 g/mol, XLogP of 7.16, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenyl-1-[4-[phenyl-[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 11756714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).