2-phenyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]indene-1,3-dione

C26H21F3N2O2 — CID 15990234

IUPAC2-phenyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]indene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1(c1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C26H21F3N2O2/c27-26(28,29)19-9-6-10-20(17-19)30-13-15-31(16-14-30)25(18-7-2-1-3-8-18)23(32)21-11-4-5-12-22(21)24(25)33/h1-12,17H,13-16H2
InChIKeyHDEKXLMZXVMBAS-UHFFFAOYSA-N
MW450.46 g/mol
LogP4.80
Rot. Bonds3

About 2-phenyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]indene-1,3-dione

2-phenyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]indene-1,3-dione (PubChem CID 15990234) has the molecular formula C26H21F3N2O2 and a molecular weight of 450.46 g/mol. Its IUPAC name is 2-phenyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]indene-1,3-dione.

Molecular Properties

Compound Name2-phenyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]indene-1,3-dione
PubChem CID15990234
Molecular FormulaC26H21F3N2O2
Molecular Weight450.46 g/mol
Exact Mass450.16
IUPAC Name2-phenyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]indene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1(c1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C26H21F3N2O2/c27-26(28,29)19-9-6-10-20(17-19)30-13-15-31(16-14-30)25(18-7-2-1-3-8-18)23(32)21-11-4-5-12-22(21)24(25)33/h1-12,17H,13-16H2
InChIKeyHDEKXLMZXVMBAS-UHFFFAOYSA-N
XLogP4.80
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.46
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-phenyl-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-diazinane-2,4,6-trione
CID 18408816
3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]naphthalene-1,2,4-trione
CID 54007801
2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 8547900
2,4-dimethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,2,4-triazine-3,5-dione
CID 58269761
1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide
CID 171925021
3,3-diphenyl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]piperidin-2-one
CID 67359428
N-[(1-phenylcyclopropyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 46699763
1-(4-bromophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 169336754
formaldehyde;1-[3-(trifluoromethyl)phenyl]piperazine
CID 159253416
1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 110452554
5-chloro-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-2,1,3-benzothiadiazole-4,7-dione
CID 14350497
1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 76852194

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]indene-1,3-dione?
The IUPAC name of 2-phenyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]indene-1,3-dione (CID 15990234) is 2-phenyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]indene-1,3-dione.
What is the SMILES notation for 2-phenyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]indene-1,3-dione?
The canonical SMILES for 2-phenyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]indene-1,3-dione is O=C1c2ccccc2C(=O)C1(c1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-phenyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]indene-1,3-dione?
The InChIKey is HDEKXLMZXVMBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N2O2/c27-26(28,29)19-9-6-10-20(17-19)30-13-15-31(16-14-30)25(18-7-2-1-3-8-18)23(32)21-11-4-5-12-22(21)24(25)33/h1-12,17H,13-16H2.
What are the key properties of 2-phenyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]indene-1,3-dione?
2-phenyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]indene-1,3-dione has a molecular weight of 450.46 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]indene-1,3-dione is sourced from PubChem (CID 15990234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).