(Z)-1-(4-chlorophenyl)-N,2-dimethoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine

C20H25ClN4O2 — CID 11474734

IUPAC(Z)-1-(4-chlorophenyl)-N,2-dimethoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine
SMILESCO/N=C(/c1ccc(Cl)cc1)C(CN1CCN(c2ccccn2)CC1)OC
InChIInChI=1S/C20H25ClN4O2/c1-26-18(20(23-27-2)16-6-8-17(21)9-7-16)15-24-11-13-25(14-12-24)19-5-3-4-10-22-19/h3-10,18H,11-15H2,1-2H3/b23-20-
InChIKeyQCUYOTOCPIEGQR-ATJXCDBQSA-N
MW388.90 g/mol
LogP2.92
Rot. Bonds7

About (Z)-1-(4-chlorophenyl)-N,2-dimethoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine

(Z)-1-(4-chlorophenyl)-N,2-dimethoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine (PubChem CID 11474734) has the molecular formula C20H25ClN4O2 and a molecular weight of 388.90 g/mol. Its IUPAC name is (Z)-1-(4-chlorophenyl)-N,2-dimethoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine.

Molecular Properties

Compound Name(Z)-1-(4-chlorophenyl)-N,2-dimethoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine
PubChem CID11474734
Molecular FormulaC20H25ClN4O2
Molecular Weight388.90 g/mol
Exact Mass388.17
IUPAC Name(Z)-1-(4-chlorophenyl)-N,2-dimethoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine
SMILESCO/N=C(/c1ccc(Cl)cc1)C(CN1CCN(c2ccccn2)CC1)OC
InChIInChI=1S/C20H25ClN4O2/c1-26-18(20(23-27-2)16-6-8-17(21)9-7-16)15-24-11-13-25(14-12-24)19-5-3-4-10-22-19/h3-10,18H,11-15H2,1-2H3/b23-20-
InChIKeyQCUYOTOCPIEGQR-ATJXCDBQSA-N
XLogP2.92
TPSA50.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-chlorophenyl)-N,2-dimethoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine?
The IUPAC name of (Z)-1-(4-chlorophenyl)-N,2-dimethoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine (CID 11474734) is (Z)-1-(4-chlorophenyl)-N,2-dimethoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine.
What is the SMILES notation for (Z)-1-(4-chlorophenyl)-N,2-dimethoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine?
The canonical SMILES for (Z)-1-(4-chlorophenyl)-N,2-dimethoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine is CO/N=C(/c1ccc(Cl)cc1)C(CN1CCN(c2ccccn2)CC1)OC.
What is the InChIKey of (Z)-1-(4-chlorophenyl)-N,2-dimethoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine?
The InChIKey is QCUYOTOCPIEGQR-ATJXCDBQSA-N. The full InChI is InChI=1S/C20H25ClN4O2/c1-26-18(20(23-27-2)16-6-8-17(21)9-7-16)15-24-11-13-25(14-12-24)19-5-3-4-10-22-19/h3-10,18H,11-15H2,1-2H3/b23-20-.
What are the key properties of (Z)-1-(4-chlorophenyl)-N,2-dimethoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine?
(Z)-1-(4-chlorophenyl)-N,2-dimethoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine has a molecular weight of 388.90 g/mol, XLogP of 2.92, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-chlorophenyl)-N,2-dimethoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine is sourced from PubChem (CID 11474734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).