4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]-N-methylbenzamide

C15H22N4O — CID 111048452

IUPAC4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(C/N=C(\N)N2CCCCC2)cc1
InChIInChI=1S/C15H22N4O/c1-17-14(20)13-7-5-12(6-8-13)11-18-15(16)19-9-3-2-4-10-19/h5-8H,2-4,9-11H2,1H3,(H2,16,18)(H,17,20)
InChIKeyIRNRRBPMGOFLTI-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.35
Rot. Bonds3

About 4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]-N-methylbenzamide

4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]-N-methylbenzamide (PubChem CID 111048452) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]-N-methylbenzamide
PubChem CID111048452
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(C/N=C(\N)N2CCCCC2)cc1
InChIInChI=1S/C15H22N4O/c1-17-14(20)13-7-5-12(6-8-13)11-18-15(16)19-9-3-2-4-10-19/h5-8H,2-4,9-11H2,1H3,(H2,16,18)(H,17,20)
InChIKeyIRNRRBPMGOFLTI-UHFFFAOYSA-N
XLogP1.35
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]-N-methylbenzamide 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

N-(2-amino-2-oxoethyl)-4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]benzamide;hydroiodide
CID 111048623
N'-[(4-methylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111026011
N'-[[4-(2-methoxyethoxy)phenyl]methyl]piperidine-1-carboximidamide
CID 75511965
5-[[[amino(piperidin-1-yl)methylidene]amino]methyl]furan-2-carboxamide
CID 111601348
4-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]benzamide
CID 111030232
methyl 4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]benzoate
CID 111024014
4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-butylbenzamide;hydroiodide
CID 111070775
4-[[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111144783
4-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]-N-methylbenzamide
CID 110029864
N'-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide
CID 111052563
4-[[[amino(propylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111048363
1-butan-2-yl-2-[[4-(piperidine-1-carbonyl)phenyl]methyl]guanidine
CID 110921087

Frequently Asked Questions

What is the IUPAC name of 4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]-N-methylbenzamide (CID 111048452) is 4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(C/N=C(\N)N2CCCCC2)cc1.
What is the InChIKey of 4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]-N-methylbenzamide?
The InChIKey is IRNRRBPMGOFLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-17-14(20)13-7-5-12(6-8-13)11-18-15(16)19-9-3-2-4-10-19/h5-8H,2-4,9-11H2,1H3,(H2,16,18)(H,17,20).
What are the key properties of 4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]-N-methylbenzamide?
4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]-N-methylbenzamide has a molecular weight of 274.37 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 111048452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).