(E)-1-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine

C26H31N5O — CID 6899525

IUPAC(E)-1-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
SMILESC(=N/N1CCN(c2ccccn2)CC1)\C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1
InChIInChI=1S/C26H31N5O/c1-2-6-22(7-3-1)20-23-9-10-24(26(23)30-16-18-32-19-17-30)21-28-31-14-12-29(13-15-31)25-8-4-5-11-27-25/h1-8,11,20-21H,9-10,12-19H2/b23-20+,28-21+
InChIKeyTZECJAGSVQFBTH-JTOFFIFKSA-N
MW429.57 g/mol
LogP3.65
Rot. Bonds5

About (E)-1-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine

(E)-1-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine (PubChem CID 6899525) has the molecular formula C26H31N5O and a molecular weight of 429.57 g/mol. Its IUPAC name is (E)-1-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine.

Molecular Properties

Compound Name(E)-1-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
PubChem CID6899525
Molecular FormulaC26H31N5O
Molecular Weight429.57 g/mol
Exact Mass429.25
IUPAC Name(E)-1-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
SMILESC(=N/N1CCN(c2ccccn2)CC1)\C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1
InChIInChI=1S/C26H31N5O/c1-2-6-22(7-3-1)20-23-9-10-24(26(23)30-16-18-32-19-17-30)21-28-31-14-12-29(13-15-31)25-8-4-5-11-27-25/h1-8,11,20-21H,9-10,12-19H2/b23-20+,28-21+
InChIKeyTZECJAGSVQFBTH-JTOFFIFKSA-N
XLogP3.65
TPSA44.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-1-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine with MolForge

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

Launch Full Analysis

Related Compounds

1-(2-Phenethyl)-4-(2-pyridyl)piperazine
CID 11000026
5-(2,6-Dimorpholin-4-ylpyridin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 58508157
4-Methyl-6-[2-(5-Morpholin-4-Ylpyridin-3-Yl)ethyl]pyridin-2-Amine
CID 119081686
N-{(E)-[4-(propan-2-yl)phenyl]methylidene}-4-(pyridin-2-yl)piperazin-1-amine
CID 5342699
N,N-dimethyl-4-[(E)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]aniline
CID 5342813
1-(3-Phenylpropyl)-4-pyridin-2-ylpiperazine
CID 667735
6-{2-[6-(Morpholin-4-yl)pyridin-3-yl]ethynyl}-5-(3-phenylpropyl)pyrimidin-4-amine
CID 10883874
5-Benzyl-6-{2-[6-(morpholin-4-yl)pyridin-3-yl]ethynyl}pyrimidin-4-amine
CID 10959648
1-Pyridin-2-yl-4-[2-(4-pyridin-2-yl-cyclohex-3-enyl)-ethyl]-piperazine
CID 15079633
1-(4-Phenyl-cyclohex-3-enyl)-4-pyridin-2-yl-piperazine
CID 15079635
2-Morpholino-4-phenylnicotinonitrile
CID 1487460
4-[[1-(2-Phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]morpholine
CID 3229139

Frequently Asked Questions

What is the IUPAC name of (E)-1-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine?
The IUPAC name of (E)-1-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine (CID 6899525) is (E)-1-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine.
What is the SMILES notation for (E)-1-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine?
The canonical SMILES for (E)-1-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine is C(=N/N1CCN(c2ccccn2)CC1)\C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1.
What is the InChIKey of (E)-1-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine?
The InChIKey is TZECJAGSVQFBTH-JTOFFIFKSA-N. The full InChI is InChI=1S/C26H31N5O/c1-2-6-22(7-3-1)20-23-9-10-24(26(23)30-16-18-32-19-17-30)21-28-31-14-12-29(13-15-31)25-8-4-5-11-27-25/h1-8,11,20-21H,9-10,12-19H2/b23-20+,28-21+.
What are the key properties of (E)-1-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine?
(E)-1-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine has a molecular weight of 429.57 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine is sourced from PubChem (CID 6899525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).