2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(cyanomethyl)acetamide

C11H19N5O — CID 120967432

IUPAC2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(cyanomethyl)acetamide
SMILESCC1CCN(/C(N)=N/CC(=O)NCC#N)CC1
InChIInChI=1S/C11H19N5O/c1-9-2-6-16(7-3-9)11(13)15-8-10(17)14-5-4-12/h9H,2-3,5-8H2,1H3,(H2,13,15)(H,14,17)
InChIKeyMANIFWBNLPNAGI-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.33
Rot. Bonds3

About 2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(cyanomethyl)acetamide

2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(cyanomethyl)acetamide (PubChem CID 120967432) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(cyanomethyl)acetamide.

Molecular Properties

Compound Name2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(cyanomethyl)acetamide
PubChem CID120967432
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(cyanomethyl)acetamide
SMILESCC1CCN(/C(N)=N/CC(=O)NCC#N)CC1
InChIInChI=1S/C11H19N5O/c1-9-2-6-16(7-3-9)11(13)15-8-10(17)14-5-4-12/h9H,2-3,5-8H2,1H3,(H2,13,15)(H,14,17)
InChIKeyMANIFWBNLPNAGI-UHFFFAOYSA-N
XLogP-0.33
TPSA94.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-prop-2-ynylacetamide
CID 110930318
2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-(cyanomethyl)acetamide;hydroiodide
CID 120973942
2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(4-fluorophenyl)acetamide
CID 110919320
2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
CID 110930365
2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111464973
3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-butan-2-ylpropanamide;hydroiodide
CID 110920904
N-[3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]propyl]cyclobutanecarboxamide
CID 111752258
3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-benzylpropanamide
CID 110920492
N-[3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide
CID 111752257
2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-cyclopropylacetamide;hydroiodide
CID 111034680
3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-benzylpropanamide;hydroiodide
CID 110920491
N-(3-cyanopropyl)-4-methylpiperidine-1-carboxamide
CID 79160318

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(cyanomethyl)acetamide?
The IUPAC name of 2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(cyanomethyl)acetamide (CID 120967432) is 2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(cyanomethyl)acetamide.
What is the SMILES notation for 2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(cyanomethyl)acetamide?
The canonical SMILES for 2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(cyanomethyl)acetamide is CC1CCN(/C(N)=N/CC(=O)NCC#N)CC1.
What is the InChIKey of 2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(cyanomethyl)acetamide?
The InChIKey is MANIFWBNLPNAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-9-2-6-16(7-3-9)11(13)15-8-10(17)14-5-4-12/h9H,2-3,5-8H2,1H3,(H2,13,15)(H,14,17).
What are the key properties of 2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(cyanomethyl)acetamide?
2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(cyanomethyl)acetamide has a molecular weight of 237.31 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(cyanomethyl)acetamide is sourced from PubChem (CID 120967432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).