(3Z,5E)-3-[(4-fluorophenyl)methylidene]-5-[(3Z)-3-[(4-fluorophenyl)methylidene]-1-methylpiperidin-4-ylidene]-1-methylpiperidin-4-one

C26H26F2N2O — CID 17275088

IUPAC(3Z,5E)-3-[(4-fluorophenyl)methylidene]-5-[(3Z)-3-[(4-fluorophenyl)methylidene]-1-methylpiperidin-4-ylidene]-1-methylpiperidin-4-one
SMILESCN1CCC(=C2/CN(C)C/C(=C/c3ccc(F)cc3)C2=O)/C(=C/c2ccc(F)cc2)C1
InChIInChI=1S/C26H26F2N2O/c1-29-12-11-24(20(15-29)13-18-3-7-22(27)8-4-18)25-17-30(2)16-21(26(25)31)14-19-5-9-23(28)10-6-19/h3-10,13-14H,11-12,15-17H2,1-2H3/b20-13+,21-14-,25-24+
InChIKeyRDMQEDXIFKVTDZ-HABMWGKJSA-N
MW420.50 g/mol
LogP4.58
Rot. Bonds2

About (3Z,5E)-3-[(4-fluorophenyl)methylidene]-5-[(3Z)-3-[(4-fluorophenyl)methylidene]-1-methylpiperidin-4-ylidene]-1-methylpiperidin-4-one

(3Z,5E)-3-[(4-fluorophenyl)methylidene]-5-[(3Z)-3-[(4-fluorophenyl)methylidene]-1-methylpiperidin-4-ylidene]-1-methylpiperidin-4-one (PubChem CID 17275088) has the molecular formula C26H26F2N2O and a molecular weight of 420.50 g/mol. Its IUPAC name is (3Z,5E)-3-[(4-fluorophenyl)methylidene]-5-[(3Z)-3-[(4-fluorophenyl)methylidene]-1-methylpiperidin-4-ylidene]-1-methylpiperidin-4-one.

Molecular Properties

Compound Name(3Z,5E)-3-[(4-fluorophenyl)methylidene]-5-[(3Z)-3-[(4-fluorophenyl)methylidene]-1-methylpiperidin-4-ylidene]-1-methylpiperidin-4-one
PubChem CID17275088
Molecular FormulaC26H26F2N2O
Molecular Weight420.50 g/mol
Exact Mass420.20
IUPAC Name(3Z,5E)-3-[(4-fluorophenyl)methylidene]-5-[(3Z)-3-[(4-fluorophenyl)methylidene]-1-methylpiperidin-4-ylidene]-1-methylpiperidin-4-one
SMILESCN1CCC(=C2/CN(C)C/C(=C/c3ccc(F)cc3)C2=O)/C(=C/c2ccc(F)cc2)C1
InChIInChI=1S/C26H26F2N2O/c1-29-12-11-24(20(15-29)13-18-3-7-22(27)8-4-18)25-17-30(2)16-21(26(25)31)14-19-5-9-23(28)10-6-19/h3-10,13-14H,11-12,15-17H2,1-2H3/b20-13+,21-14-,25-24+
InChIKeyRDMQEDXIFKVTDZ-HABMWGKJSA-N
XLogP4.58
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.50
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_ene_A(57)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3Z,5E)-3-[(4-fluorophenyl)methylidene]-5-[(3Z)-3-[(4-fluorophenyl)methylidene]-1-methylpiperidin-4-ylidene]-1-methylpiperidin-4-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 (3Z,5E)-3-[(4-fluorophenyl)methylidene]-5-[(3Z)-3-[(4-fluorophenyl)methylidene]-1-methylpiperidin-4-ylidene]-1-methylpiperidin-4-one?
The IUPAC name of (3Z,5E)-3-[(4-fluorophenyl)methylidene]-5-[(3Z)-3-[(4-fluorophenyl)methylidene]-1-methylpiperidin-4-ylidene]-1-methylpiperidin-4-one (CID 17275088) is (3Z,5E)-3-[(4-fluorophenyl)methylidene]-5-[(3Z)-3-[(4-fluorophenyl)methylidene]-1-methylpiperidin-4-ylidene]-1-methylpiperidin-4-one.
What is the SMILES notation for (3Z,5E)-3-[(4-fluorophenyl)methylidene]-5-[(3Z)-3-[(4-fluorophenyl)methylidene]-1-methylpiperidin-4-ylidene]-1-methylpiperidin-4-one?
The canonical SMILES for (3Z,5E)-3-[(4-fluorophenyl)methylidene]-5-[(3Z)-3-[(4-fluorophenyl)methylidene]-1-methylpiperidin-4-ylidene]-1-methylpiperidin-4-one is CN1CCC(=C2/CN(C)C/C(=C/c3ccc(F)cc3)C2=O)/C(=C/c2ccc(F)cc2)C1.
What is the InChIKey of (3Z,5E)-3-[(4-fluorophenyl)methylidene]-5-[(3Z)-3-[(4-fluorophenyl)methylidene]-1-methylpiperidin-4-ylidene]-1-methylpiperidin-4-one?
The InChIKey is RDMQEDXIFKVTDZ-HABMWGKJSA-N. The full InChI is InChI=1S/C26H26F2N2O/c1-29-12-11-24(20(15-29)13-18-3-7-22(27)8-4-18)25-17-30(2)16-21(26(25)31)14-19-5-9-23(28)10-6-19/h3-10,13-14H,11-12,15-17H2,1-2H3/b20-13+,21-14-,25-24+.
What are the key properties of (3Z,5E)-3-[(4-fluorophenyl)methylidene]-5-[(3Z)-3-[(4-fluorophenyl)methylidene]-1-methylpiperidin-4-ylidene]-1-methylpiperidin-4-one?
(3Z,5E)-3-[(4-fluorophenyl)methylidene]-5-[(3Z)-3-[(4-fluorophenyl)methylidene]-1-methylpiperidin-4-ylidene]-1-methylpiperidin-4-one has a molecular weight of 420.50 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-3-[(4-fluorophenyl)methylidene]-5-[(3Z)-3-[(4-fluorophenyl)methylidene]-1-methylpiperidin-4-ylidene]-1-methylpiperidin-4-one is sourced from PubChem (CID 17275088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).