(E,Z)-3-(furan-2-yl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-imine

C18H21N3O2 — CID 5347460

IUPAC(E,Z)-3-(furan-2-yl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-imine
SMILESCOc1ccccc1N1CCN(/N=C/C=C\c2ccco2)CC1
InChIInChI=1S/C18H21N3O2/c1-22-18-9-3-2-8-17(18)20-11-13-21(14-12-20)19-10-4-6-16-7-5-15-23-16/h2-10,15H,11-14H2,1H3/b6-4-,19-10+
InChIKeyRIXYXHUGLYBJRG-NSFRZYPPSA-N
MW311.39 g/mol
LogP3.11
Rot. Bonds5

About (E,Z)-3-(furan-2-yl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-imine

(E,Z)-3-(furan-2-yl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-imine (PubChem CID 5347460) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is (E,Z)-3-(furan-2-yl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-imine.

Molecular Properties

Compound Name(E,Z)-3-(furan-2-yl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-imine
PubChem CID5347460
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name(E,Z)-3-(furan-2-yl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-imine
SMILESCOc1ccccc1N1CCN(/N=C/C=C\c2ccco2)CC1
InChIInChI=1S/C18H21N3O2/c1-22-18-9-3-2-8-17(18)20-11-13-21(14-12-20)19-10-4-6-16-7-5-15-23-16/h2-10,15H,11-14H2,1H3/b6-4-,19-10+
InChIKeyRIXYXHUGLYBJRG-NSFRZYPPSA-N
XLogP3.11
TPSA41.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_ene_A(5)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,Z)-3-(furan-2-yl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-imine?
The IUPAC name of (E,Z)-3-(furan-2-yl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-imine (CID 5347460) is (E,Z)-3-(furan-2-yl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-imine.
What is the SMILES notation for (E,Z)-3-(furan-2-yl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-imine?
The canonical SMILES for (E,Z)-3-(furan-2-yl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-imine is COc1ccccc1N1CCN(/N=C/C=C\c2ccco2)CC1.
What is the InChIKey of (E,Z)-3-(furan-2-yl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-imine?
The InChIKey is RIXYXHUGLYBJRG-NSFRZYPPSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-22-18-9-3-2-8-17(18)20-11-13-21(14-12-20)19-10-4-6-16-7-5-15-23-16/h2-10,15H,11-14H2,1H3/b6-4-,19-10+.
What are the key properties of (E,Z)-3-(furan-2-yl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-imine?
(E,Z)-3-(furan-2-yl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-imine has a molecular weight of 311.39 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E,Z)-3-(furan-2-yl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-imine is sourced from PubChem (CID 5347460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).