(E)-3-thiophen-2-yl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]prop-2-en-1-one

C18H17F3N2O2S — CID 71798713

IUPAC(E)-3-thiophen-2-yl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]prop-2-en-1-one
SMILESO=C(/C=C/c1cccs1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C18H17F3N2O2S/c19-18(20,21)13-3-5-16(22-12-13)25-14-7-9-23(10-8-14)17(24)6-4-15-2-1-11-26-15/h1-6,11-12,14H,7-10H2/b6-4+
InChIKeyFZAVFZXYSPGMAA-GQCTYLIASA-N
MW382.41 g/mol
LogP4.25
Rot. Bonds4

About (E)-3-thiophen-2-yl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]prop-2-en-1-one

(E)-3-thiophen-2-yl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]prop-2-en-1-one (PubChem CID 71798713) has the molecular formula C18H17F3N2O2S and a molecular weight of 382.41 g/mol. Its IUPAC name is (E)-3-thiophen-2-yl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-thiophen-2-yl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]prop-2-en-1-one
PubChem CID71798713
Molecular FormulaC18H17F3N2O2S
Molecular Weight382.41 g/mol
Exact Mass382.10
IUPAC Name(E)-3-thiophen-2-yl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]prop-2-en-1-one
SMILESO=C(/C=C/c1cccs1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C18H17F3N2O2S/c19-18(20,21)13-3-5-16(22-12-13)25-14-7-9-23(10-8-14)17(24)6-4-15-2-1-11-26-15/h1-6,11-12,14H,7-10H2/b6-4+
InChIKeyFZAVFZXYSPGMAA-GQCTYLIASA-N
XLogP4.25
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-thiophen-2-yl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-thiophen-2-yl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]prop-2-en-1-one?
The IUPAC name of (E)-3-thiophen-2-yl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]prop-2-en-1-one (CID 71798713) is (E)-3-thiophen-2-yl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-thiophen-2-yl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]prop-2-en-1-one?
The canonical SMILES for (E)-3-thiophen-2-yl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]prop-2-en-1-one is O=C(/C=C/c1cccs1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of (E)-3-thiophen-2-yl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]prop-2-en-1-one?
The InChIKey is FZAVFZXYSPGMAA-GQCTYLIASA-N. The full InChI is InChI=1S/C18H17F3N2O2S/c19-18(20,21)13-3-5-16(22-12-13)25-14-7-9-23(10-8-14)17(24)6-4-15-2-1-11-26-15/h1-6,11-12,14H,7-10H2/b6-4+.
What are the key properties of (E)-3-thiophen-2-yl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]prop-2-en-1-one?
(E)-3-thiophen-2-yl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]prop-2-en-1-one has a molecular weight of 382.41 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-thiophen-2-yl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 71798713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).