methyl 5-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]-2-methylfuran-3-carboxylate

C15H23N3O3 — CID 119119295

IUPACmethyl 5-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(C/N=C(\N)N2CCCC(C)C2)oc1C
InChIInChI=1S/C15H23N3O3/c1-10-5-4-6-18(9-10)15(16)17-8-12-7-13(11(2)21-12)14(19)20-3/h7,10H,4-6,8-9H2,1-3H3,(H2,16,17)
InChIKeyXINGAHIWQBMGIQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.92
Rot. Bonds3

About methyl 5-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]-2-methylfuran-3-carboxylate

methyl 5-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]-2-methylfuran-3-carboxylate (PubChem CID 119119295) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is methyl 5-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]-2-methylfuran-3-carboxylate
PubChem CID119119295
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Namemethyl 5-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(C/N=C(\N)N2CCCC(C)C2)oc1C
InChIInChI=1S/C15H23N3O3/c1-10-5-4-6-18(9-10)15(16)17-8-12-7-13(11(2)21-12)14(19)20-3/h7,10H,4-6,8-9H2,1-3H3,(H2,16,17)
InChIKeyXINGAHIWQBMGIQ-UHFFFAOYSA-N
XLogP1.92
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze methyl 5-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]-2-methylfuran-3-carboxylate 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

methyl 5-[[[amino-(4-methylpiperidin-1-yl)methylidene]amino]methyl]-2-methylfuran-3-carboxylate;hydroiodide
CID 119112563
methyl 2-methyl-5-[[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]methyl]furan-3-carboxylate;hydroiodide
CID 111144489
methyl 2-methyl-5-[(3-methylpiperidin-1-yl)methyl]furan-3-carboxylate
CID 78791073
N'-[(2,5-dimethylfuran-3-yl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111813204
methyl 5-[[[ethylamino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]methyl]-2-methylfuran-3-carboxylate
CID 111261073
methyl 5-[[[amino-(oxolan-2-ylmethylamino)methylidene]amino]methyl]-2-methylfuran-3-carboxylate;hydrobromide
CID 51127634
N'-(furan-2-ylmethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111022379
N'-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-3-methylpiperidine-1-carboximidamide
CID 122098058
N'-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111078920
4-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]benzamide
CID 111030232
methyl 2-methyl-5-[[(N-methyl-C-pyrrolidin-1-ylcarbonimidoyl)amino]methyl]furan-3-carboxylate;hydroiodide
CID 119114419
methyl 2-methyl-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]furan-3-carboxylate
CID 54950173

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]-2-methylfuran-3-carboxylate (CID 119119295) is methyl 5-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(C/N=C(\N)N2CCCC(C)C2)oc1C.
What is the InChIKey of methyl 5-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]-2-methylfuran-3-carboxylate?
The InChIKey is XINGAHIWQBMGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10-5-4-6-18(9-10)15(16)17-8-12-7-13(11(2)21-12)14(19)20-3/h7,10H,4-6,8-9H2,1-3H3,(H2,16,17).
What are the key properties of methyl 5-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]-2-methylfuran-3-carboxylate?
methyl 5-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]-2-methylfuran-3-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 119119295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).