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

C22H23N3O — CID 6883812

IUPAC(E,E)-3-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]prop-2-en-1-imine
SMILESC(=C/c1ccco1)\C=N\N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C22H23N3O/c1-2-11-22-19(6-1)7-3-8-20(22)18-24-13-15-25(16-14-24)23-12-4-9-21-10-5-17-26-21/h1-12,17H,13-16,18H2/b9-4+,23-12+
InChIKeyGCWSUXUUONKCKR-RBPBNGIGSA-N
MW345.45 g/mol
LogP4.25
Rot. Bonds5

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

(E,E)-3-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]prop-2-en-1-imine (PubChem CID 6883812) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is (E,E)-3-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]prop-2-en-1-imine.

Molecular Properties

Compound Name(E,E)-3-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]prop-2-en-1-imine
PubChem CID6883812
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name(E,E)-3-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]prop-2-en-1-imine
SMILESC(=C/c1ccco1)\C=N\N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C22H23N3O/c1-2-11-22-19(6-1)7-3-8-20(22)18-24-13-15-25(16-14-24)23-12-4-9-21-10-5-17-26-21/h1-12,17H,13-16,18H2/b9-4+,23-12+
InChIKeyGCWSUXUUONKCKR-RBPBNGIGSA-N
XLogP4.25
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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,E)-3-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]prop-2-en-1-imine?
The IUPAC name of (E,E)-3-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]prop-2-en-1-imine (CID 6883812) is (E,E)-3-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]prop-2-en-1-imine.
What is the SMILES notation for (E,E)-3-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]prop-2-en-1-imine?
The canonical SMILES for (E,E)-3-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]prop-2-en-1-imine is C(=C/c1ccco1)\C=N\N1CCN(Cc2cccc3ccccc23)CC1.
What is the InChIKey of (E,E)-3-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]prop-2-en-1-imine?
The InChIKey is GCWSUXUUONKCKR-RBPBNGIGSA-N. The full InChI is InChI=1S/C22H23N3O/c1-2-11-22-19(6-1)7-3-8-20(22)18-24-13-15-25(16-14-24)23-12-4-9-21-10-5-17-26-21/h1-12,17H,13-16,18H2/b9-4+,23-12+.
What are the key properties of (E,E)-3-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]prop-2-en-1-imine?
(E,E)-3-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]prop-2-en-1-imine has a molecular weight of 345.45 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,E)-3-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]prop-2-en-1-imine is sourced from PubChem (CID 6883812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).