(Z)-N-(4-methylpiperazin-1-yl)-1-[5-(4-nitrophenyl)furan-2-yl]methanimine

C16H18N4O3 — CID 5403502

IUPAC(Z)-N-(4-methylpiperazin-1-yl)-1-[5-(4-nitrophenyl)furan-2-yl]methanimine
SMILESCN1CCN(/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1
InChIInChI=1S/C16H18N4O3/c1-18-8-10-19(11-9-18)17-12-15-6-7-16(23-15)13-2-4-14(5-3-13)20(21)22/h2-7,12H,8-11H2,1H3/b17-12-
InChIKeyHDXLSHZNIRHIJG-ATVHPVEESA-N
MW314.35 g/mol
LogP2.44
Rot. Bonds4

About (Z)-N-(4-methylpiperazin-1-yl)-1-[5-(4-nitrophenyl)furan-2-yl]methanimine

(Z)-N-(4-methylpiperazin-1-yl)-1-[5-(4-nitrophenyl)furan-2-yl]methanimine (PubChem CID 5403502) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is (Z)-N-(4-methylpiperazin-1-yl)-1-[5-(4-nitrophenyl)furan-2-yl]methanimine.

Molecular Properties

Compound Name(Z)-N-(4-methylpiperazin-1-yl)-1-[5-(4-nitrophenyl)furan-2-yl]methanimine
PubChem CID5403502
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name(Z)-N-(4-methylpiperazin-1-yl)-1-[5-(4-nitrophenyl)furan-2-yl]methanimine
SMILESCN1CCN(/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1
InChIInChI=1S/C16H18N4O3/c1-18-8-10-19(11-9-18)17-12-15-6-7-16(23-15)13-2-4-14(5-3-13)20(21)22/h2-7,12H,8-11H2,1H3/b17-12-
InChIKeyHDXLSHZNIRHIJG-ATVHPVEESA-N
XLogP2.44
TPSA75.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5Z)-3-(4-methylpiperazin-1-yl)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6531352
2-(4-methylpiperazin-1-yl)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one
CID 1423604
(E)-1-(2-chloro-5-nitrophenyl)-N-(4-methylpiperazin-1-yl)methanimine
CID 170978138
3-ethyl-4-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-1H-1,2,4-triazole-5-thione
CID 3000697
1-methylpyridin-1-ium;1-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione
CID 22750243
6-methyl-4-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one
CID 6041193
4-[5-[(Z)-piperidin-1-yliminomethyl]furan-2-yl]benzenesulfonamide
CID 9217266
1-(4-nitrophenyl)-N-pyrrolidin-1-ylmethanimine
CID 71401110
4-iodo-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline
CID 11840307
N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-nitroaniline
CID 5339495
4-methyl-2-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]phenol
CID 171981355
1-(5-methylfuran-2-yl)-N-(4-methylpiperazin-1-yl)methanimine;phosphoric acid
CID 73242891

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-methylpiperazin-1-yl)-1-[5-(4-nitrophenyl)furan-2-yl]methanimine?
The IUPAC name of (Z)-N-(4-methylpiperazin-1-yl)-1-[5-(4-nitrophenyl)furan-2-yl]methanimine (CID 5403502) is (Z)-N-(4-methylpiperazin-1-yl)-1-[5-(4-nitrophenyl)furan-2-yl]methanimine.
What is the SMILES notation for (Z)-N-(4-methylpiperazin-1-yl)-1-[5-(4-nitrophenyl)furan-2-yl]methanimine?
The canonical SMILES for (Z)-N-(4-methylpiperazin-1-yl)-1-[5-(4-nitrophenyl)furan-2-yl]methanimine is CN1CCN(/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1.
What is the InChIKey of (Z)-N-(4-methylpiperazin-1-yl)-1-[5-(4-nitrophenyl)furan-2-yl]methanimine?
The InChIKey is HDXLSHZNIRHIJG-ATVHPVEESA-N. The full InChI is InChI=1S/C16H18N4O3/c1-18-8-10-19(11-9-18)17-12-15-6-7-16(23-15)13-2-4-14(5-3-13)20(21)22/h2-7,12H,8-11H2,1H3/b17-12-.
What are the key properties of (Z)-N-(4-methylpiperazin-1-yl)-1-[5-(4-nitrophenyl)furan-2-yl]methanimine?
(Z)-N-(4-methylpiperazin-1-yl)-1-[5-(4-nitrophenyl)furan-2-yl]methanimine has a molecular weight of 314.35 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-methylpiperazin-1-yl)-1-[5-(4-nitrophenyl)furan-2-yl]methanimine is sourced from PubChem (CID 5403502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).