(E)-3-(5-methylfuran-2-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-2-en-1-one

C19H19F3N2O2 — CID 1294600

IUPAC(E)-3-(5-methylfuran-2-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-2-en-1-one
SMILESCc1ccc(/C=C/C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)o1
InChIInChI=1S/C19H19F3N2O2/c1-14-5-6-17(26-14)7-8-18(25)24-11-9-23(10-12-24)16-4-2-3-15(13-16)19(20,21)22/h2-8,13H,9-12H2,1H3/b8-7+
InChIKeyLQOYSUAMWUQOIU-BQYQJAHWSA-N
MW364.37 g/mol
LogP3.97
Rot. Bonds3

About (E)-3-(5-methylfuran-2-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-2-en-1-one

(E)-3-(5-methylfuran-2-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-2-en-1-one (PubChem CID 1294600) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is (E)-3-(5-methylfuran-2-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(5-methylfuran-2-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-2-en-1-one
PubChem CID1294600
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name(E)-3-(5-methylfuran-2-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-2-en-1-one
SMILESCc1ccc(/C=C/C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)o1
InChIInChI=1S/C19H19F3N2O2/c1-14-5-6-17(26-14)7-8-18(25)24-11-9-23(10-12-24)16-4-2-3-15(13-16)19(20,21)22/h2-8,13H,9-12H2,1H3/b8-7+
InChIKeyLQOYSUAMWUQOIU-BQYQJAHWSA-N
XLogP3.97
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-methylfuran-2-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-2-en-1-one?
The IUPAC name of (E)-3-(5-methylfuran-2-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-2-en-1-one (CID 1294600) is (E)-3-(5-methylfuran-2-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-(5-methylfuran-2-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-2-en-1-one?
The canonical SMILES for (E)-3-(5-methylfuran-2-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-2-en-1-one is Cc1ccc(/C=C/C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)o1.
What is the InChIKey of (E)-3-(5-methylfuran-2-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-2-en-1-one?
The InChIKey is LQOYSUAMWUQOIU-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-14-5-6-17(26-14)7-8-18(25)24-11-9-23(10-12-24)16-4-2-3-15(13-16)19(20,21)22/h2-8,13H,9-12H2,1H3/b8-7+.
What are the key properties of (E)-3-(5-methylfuran-2-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-2-en-1-one?
(E)-3-(5-methylfuran-2-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-2-en-1-one has a molecular weight of 364.37 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-methylfuran-2-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 1294600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).