(2E)-2-[(3Z)-3-ethylidene-1-[[4-(piperidine-1-carboximidoyl)phenyl]methyl]pyrrol-2-ylidene]-N-methylethanimine

C22H28N4 — CID 129229788

IUPAC(2E)-2-[(3Z)-3-ethylidene-1-[[4-(piperidine-1-carboximidoyl)phenyl]methyl]pyrrol-2-ylidene]-N-methylethanimine
SMILES[H]/N=C(/c1ccc(Cn2ccc(=C/C)/c2=C\C=N\C)cc1)N1CCCCC1
InChIInChI=1S/C22H28N4/c1-3-19-12-16-26(21(19)11-13-24-2)17-18-7-9-20(10-8-18)22(23)25-14-5-4-6-15-25/h3,7-13,16,23H,4-6,14-15,17H2,1-2H3/b19-3-,21-11+,23-22-,24-13+
InChIKeyJGPSCQAXDZRYCV-RHUAIFISSA-N
MW348.49 g/mol
LogP2.63
Rot. Bonds4

About (2E)-2-[(3Z)-3-ethylidene-1-[[4-(piperidine-1-carboximidoyl)phenyl]methyl]pyrrol-2-ylidene]-N-methylethanimine

(2E)-2-[(3Z)-3-ethylidene-1-[[4-(piperidine-1-carboximidoyl)phenyl]methyl]pyrrol-2-ylidene]-N-methylethanimine (PubChem CID 129229788) has the molecular formula C22H28N4 and a molecular weight of 348.49 g/mol. Its IUPAC name is (2E)-2-[(3Z)-3-ethylidene-1-[[4-(piperidine-1-carboximidoyl)phenyl]methyl]pyrrol-2-ylidene]-N-methylethanimine.

Molecular Properties

Compound Name(2E)-2-[(3Z)-3-ethylidene-1-[[4-(piperidine-1-carboximidoyl)phenyl]methyl]pyrrol-2-ylidene]-N-methylethanimine
PubChem CID129229788
Molecular FormulaC22H28N4
Molecular Weight348.49 g/mol
Exact Mass348.23
IUPAC Name(2E)-2-[(3Z)-3-ethylidene-1-[[4-(piperidine-1-carboximidoyl)phenyl]methyl]pyrrol-2-ylidene]-N-methylethanimine
SMILES[H]/N=C(/c1ccc(Cn2ccc(=C/C)/c2=C\C=N\C)cc1)N1CCCCC1
InChIInChI=1S/C22H28N4/c1-3-19-12-16-26(21(19)11-13-24-2)17-18-7-9-20(10-8-18)22(23)25-14-5-4-6-15-25/h3,7-13,16,23H,4-6,14-15,17H2,1-2H3/b19-3-,21-11+,23-22-,24-13+
InChIKeyJGPSCQAXDZRYCV-RHUAIFISSA-N
XLogP2.63
TPSA44.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (2E)-2-[(3Z)-3-ethylidene-1-[[4-(piperidine-1-carboximidoyl)phenyl]methyl]pyrrol-2-ylidene]-N-methylethanimine 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 (2E)-2-[(3Z)-3-ethylidene-1-[[4-(piperidine-1-carboximidoyl)phenyl]methyl]pyrrol-2-ylidene]-N-methylethanimine?
The IUPAC name of (2E)-2-[(3Z)-3-ethylidene-1-[[4-(piperidine-1-carboximidoyl)phenyl]methyl]pyrrol-2-ylidene]-N-methylethanimine (CID 129229788) is (2E)-2-[(3Z)-3-ethylidene-1-[[4-(piperidine-1-carboximidoyl)phenyl]methyl]pyrrol-2-ylidene]-N-methylethanimine.
What is the SMILES notation for (2E)-2-[(3Z)-3-ethylidene-1-[[4-(piperidine-1-carboximidoyl)phenyl]methyl]pyrrol-2-ylidene]-N-methylethanimine?
The canonical SMILES for (2E)-2-[(3Z)-3-ethylidene-1-[[4-(piperidine-1-carboximidoyl)phenyl]methyl]pyrrol-2-ylidene]-N-methylethanimine is [H]/N=C(/c1ccc(Cn2ccc(=C/C)/c2=C\C=N\C)cc1)N1CCCCC1.
What is the InChIKey of (2E)-2-[(3Z)-3-ethylidene-1-[[4-(piperidine-1-carboximidoyl)phenyl]methyl]pyrrol-2-ylidene]-N-methylethanimine?
The InChIKey is JGPSCQAXDZRYCV-RHUAIFISSA-N. The full InChI is InChI=1S/C22H28N4/c1-3-19-12-16-26(21(19)11-13-24-2)17-18-7-9-20(10-8-18)22(23)25-14-5-4-6-15-25/h3,7-13,16,23H,4-6,14-15,17H2,1-2H3/b19-3-,21-11+,23-22-,24-13+.
What are the key properties of (2E)-2-[(3Z)-3-ethylidene-1-[[4-(piperidine-1-carboximidoyl)phenyl]methyl]pyrrol-2-ylidene]-N-methylethanimine?
(2E)-2-[(3Z)-3-ethylidene-1-[[4-(piperidine-1-carboximidoyl)phenyl]methyl]pyrrol-2-ylidene]-N-methylethanimine has a molecular weight of 348.49 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(3Z)-3-ethylidene-1-[[4-(piperidine-1-carboximidoyl)phenyl]methyl]pyrrol-2-ylidene]-N-methylethanimine is sourced from PubChem (CID 129229788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).