(E)-1-(4-chlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-imine

C20H24ClN3O — CID 11849816

IUPAC(E)-1-(4-chlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-imine
SMILESCO/N=C(\CCN1CCC(c2ccccn2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C20H24ClN3O/c1-25-23-20(16-5-7-18(21)8-6-16)11-15-24-13-9-17(10-14-24)19-4-2-3-12-22-19/h2-8,12,17H,9-11,13-15H2,1H3/b23-20+
InChIKeyNVASSRJOXRMBMU-BSYVCWPDSA-N
MW357.89 g/mol
LogP4.36
Rot. Bonds6

About (E)-1-(4-chlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-imine

(E)-1-(4-chlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-imine (PubChem CID 11849816) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is (E)-1-(4-chlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-imine.

Molecular Properties

Compound Name(E)-1-(4-chlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-imine
PubChem CID11849816
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC Name(E)-1-(4-chlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-imine
SMILESCO/N=C(\CCN1CCC(c2ccccn2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C20H24ClN3O/c1-25-23-20(16-5-7-18(21)8-6-16)11-15-24-13-9-17(10-14-24)19-4-2-3-12-22-19/h2-8,12,17H,9-11,13-15H2,1H3/b23-20+
InChIKeyNVASSRJOXRMBMU-BSYVCWPDSA-N
XLogP4.36
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-1-(4-chlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-imine 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)-1-(4-chlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-imine?
The IUPAC name of (E)-1-(4-chlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-imine (CID 11849816) is (E)-1-(4-chlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-imine.
What is the SMILES notation for (E)-1-(4-chlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-imine?
The canonical SMILES for (E)-1-(4-chlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-imine is CO/N=C(\CCN1CCC(c2ccccn2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of (E)-1-(4-chlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-imine?
The InChIKey is NVASSRJOXRMBMU-BSYVCWPDSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-25-23-20(16-5-7-18(21)8-6-16)11-15-24-13-9-17(10-14-24)19-4-2-3-12-22-19/h2-8,12,17H,9-11,13-15H2,1H3/b23-20+.
What are the key properties of (E)-1-(4-chlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-imine?
(E)-1-(4-chlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-imine has a molecular weight of 357.89 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-chlorophenyl)-N-methoxy-3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-imine is sourced from PubChem (CID 11849816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).