N-(3-chloro-4-piperidin-1-ylphenyl)-1-(5-nitrofuran-2-yl)methanimine

C16H16ClN3O3 — CID 4576176

IUPACN-(3-chloro-4-piperidin-1-ylphenyl)-1-(5-nitrofuran-2-yl)methanimine
SMILESO=[N+]([O-])c1ccc(/C=N/c2ccc(N3CCCCC3)c(Cl)c2)o1
InChIInChI=1S/C16H16ClN3O3/c17-14-10-12(4-6-15(14)19-8-2-1-3-9-19)18-11-13-5-7-16(23-13)20(21)22/h4-7,10-11H,1-3,8-9H2/b18-11+
InChIKeySSCRRVMCHLBLDA-WOJGMQOQSA-N
MW333.78 g/mol
LogP4.58
Rot. Bonds4

About N-(3-chloro-4-piperidin-1-ylphenyl)-1-(5-nitrofuran-2-yl)methanimine

N-(3-chloro-4-piperidin-1-ylphenyl)-1-(5-nitrofuran-2-yl)methanimine (PubChem CID 4576176) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is N-(3-chloro-4-piperidin-1-ylphenyl)-1-(5-nitrofuran-2-yl)methanimine.

Molecular Properties

Compound NameN-(3-chloro-4-piperidin-1-ylphenyl)-1-(5-nitrofuran-2-yl)methanimine
PubChem CID4576176
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC NameN-(3-chloro-4-piperidin-1-ylphenyl)-1-(5-nitrofuran-2-yl)methanimine
SMILESO=[N+]([O-])c1ccc(/C=N/c2ccc(N3CCCCC3)c(Cl)c2)o1
InChIInChI=1S/C16H16ClN3O3/c17-14-10-12(4-6-15(14)19-8-2-1-3-9-19)18-11-13-5-7-16(23-13)20(21)22/h4-7,10-11H,1-3,8-9H2/b18-11+
InChIKeySSCRRVMCHLBLDA-WOJGMQOQSA-N
XLogP4.58
TPSA71.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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'}

Analyze N-(3-chloro-4-piperidin-1-ylphenyl)-1-(5-nitrofuran-2-yl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(5-nitrofuran-2-yl)methylideneamino]aniline
CID 54597944
N-(3,4-dimethoxyphenyl)-1-(5-nitrofuran-2-yl)methanimine
CID 71329734
1-(1,3-benzodioxol-5-yl)-N-(3-chloro-4-piperidin-1-ylphenyl)methanimine
CID 3562864
N-[(5-nitrofuran-2-yl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 4055851
N-(4-ethylphenyl)-1-(5-nitrofuran-2-yl)methanimine
CID 23825355
1-(4-nitrophenyl)-N-(4-piperidin-1-yl-3-piperidin-1-ylsulfonylphenyl)methanimine
CID 94849726
1-[2-(5-nitrofuran-2-yl)ethenyl]piperidine
CID 71404922
1-(5-nitrofuran-2-yl)piperidine
CID 134976034
1-(2-chloro-4-isocyanatophenyl)piperidine
CID 169354585
N-dibenzofuran-3-yl-1-(3-nitro-4-pyrrolidin-1-ylphenyl)methanimine
CID 4529468
1-(4-chloro-2-nitrophenyl)piperidine
CID 160686778
2-[(E)-2-chloroethenyl]-5-nitrofuran
CID 127261425

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-piperidin-1-ylphenyl)-1-(5-nitrofuran-2-yl)methanimine?
The IUPAC name of N-(3-chloro-4-piperidin-1-ylphenyl)-1-(5-nitrofuran-2-yl)methanimine (CID 4576176) is N-(3-chloro-4-piperidin-1-ylphenyl)-1-(5-nitrofuran-2-yl)methanimine.
What is the SMILES notation for N-(3-chloro-4-piperidin-1-ylphenyl)-1-(5-nitrofuran-2-yl)methanimine?
The canonical SMILES for N-(3-chloro-4-piperidin-1-ylphenyl)-1-(5-nitrofuran-2-yl)methanimine is O=[N+]([O-])c1ccc(/C=N/c2ccc(N3CCCCC3)c(Cl)c2)o1.
What is the InChIKey of N-(3-chloro-4-piperidin-1-ylphenyl)-1-(5-nitrofuran-2-yl)methanimine?
The InChIKey is SSCRRVMCHLBLDA-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c17-14-10-12(4-6-15(14)19-8-2-1-3-9-19)18-11-13-5-7-16(23-13)20(21)22/h4-7,10-11H,1-3,8-9H2/b18-11+.
What are the key properties of N-(3-chloro-4-piperidin-1-ylphenyl)-1-(5-nitrofuran-2-yl)methanimine?
N-(3-chloro-4-piperidin-1-ylphenyl)-1-(5-nitrofuran-2-yl)methanimine has a molecular weight of 333.78 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-piperidin-1-ylphenyl)-1-(5-nitrofuran-2-yl)methanimine is sourced from PubChem (CID 4576176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).