4-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]benzamide

C15H22N4O — CID 111030232

IUPAC4-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]benzamide
SMILESCC1CCCN(/C(N)=N/Cc2ccc(C(N)=O)cc2)C1
InChIInChI=1S/C15H22N4O/c1-11-3-2-8-19(10-11)15(17)18-9-12-4-6-13(7-5-12)14(16)20/h4-7,11H,2-3,8-10H2,1H3,(H2,16,20)(H2,17,18)
InChIKeyICZGERSFDUPDNE-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.33
Rot. Bonds3

About 4-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]benzamide

4-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]benzamide (PubChem CID 111030232) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]benzamide
PubChem CID111030232
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name4-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]benzamide
SMILESCC1CCCN(/C(N)=N/Cc2ccc(C(N)=O)cc2)C1
InChIInChI=1S/C15H22N4O/c1-11-3-2-8-19(10-11)15(17)18-9-12-4-6-13(7-5-12)14(16)20/h4-7,11H,2-3,8-10H2,1H3,(H2,16,20)(H2,17,18)
InChIKeyICZGERSFDUPDNE-UHFFFAOYSA-N
XLogP1.33
TPSA84.71 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 ≤ 51.33
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'}

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Related Compounds

4-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]-N,N-diethylbenzamide;hydroiodide
CID 111048307
N'-[[4-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111816739
3-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111037394
3-methyl-N'-[(4-pyrazol-1-ylphenyl)methyl]piperidine-1-carboximidamide
CID 111063356
N'-[(3-chloro-4-fluorophenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111045706
N-[3-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]phenyl]pyrrolidine-1-carboxamide;hydroiodide
CID 111076661
3-methyl-N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide
CID 111023364
3-methyl-N'-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboximidamide
CID 111081464
N'-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]-3-methylpiperidine-1-carboximidamide;hydrochloride
CID 158187066
N'-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111072739
N'-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 120913558
N'-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111053335

Frequently Asked Questions

What is the IUPAC name of 4-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]benzamide?
The IUPAC name of 4-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]benzamide (CID 111030232) is 4-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]benzamide.
What is the SMILES notation for 4-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]benzamide?
The canonical SMILES for 4-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]benzamide is CC1CCCN(/C(N)=N/Cc2ccc(C(N)=O)cc2)C1.
What is the InChIKey of 4-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]benzamide?
The InChIKey is ICZGERSFDUPDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-11-3-2-8-19(10-11)15(17)18-9-12-4-6-13(7-5-12)14(16)20/h4-7,11H,2-3,8-10H2,1H3,(H2,16,20)(H2,17,18).
What are the key properties of 4-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]benzamide?
4-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]benzamide has a molecular weight of 274.37 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]benzamide is sourced from PubChem (CID 111030232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).