N'-[(1-methylpiperidin-4-ylidene)amino]oxamide

C8H14N4O2 — CID 4161809

IUPACN'-[(1-methylpiperidin-4-ylidene)amino]oxamide
SMILESCN1CCC(=NNC(=O)C(N)=O)CC1
InChIInChI=1S/C8H14N4O2/c1-12-4-2-6(3-5-12)10-11-8(14)7(9)13/h2-5H2,1H3,(H2,9,13)(H,11,14)
InChIKeyUPJOQAUZPDJUIF-UHFFFAOYSA-N
MW198.23 g/mol
LogP-1.33
Rot. Bonds1

About N'-[(1-methylpiperidin-4-ylidene)amino]oxamide

N'-[(1-methylpiperidin-4-ylidene)amino]oxamide (PubChem CID 4161809) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is N'-[(1-methylpiperidin-4-ylidene)amino]oxamide.

Molecular Properties

Compound NameN'-[(1-methylpiperidin-4-ylidene)amino]oxamide
PubChem CID4161809
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC NameN'-[(1-methylpiperidin-4-ylidene)amino]oxamide
SMILESCN1CCC(=NNC(=O)C(N)=O)CC1
InChIInChI=1S/C8H14N4O2/c1-12-4-2-6(3-5-12)10-11-8(14)7(9)13/h2-5H2,1H3,(H2,9,13)(H,11,14)
InChIKeyUPJOQAUZPDJUIF-UHFFFAOYSA-N
XLogP-1.33
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(tert-butyl)-2-[2-(1-methyl-4-piperidinylidene)hydrazino]-2-oxoacetamide
CID 2859123
N-(1-Methylpiperidin-4-ylidene)acetohydrazide
CID 76045
2-[2-(1-methylpiperidin-4-ylidene)hydrazinyl]-2-oxo-N-(propan-2-yl)acetamide
CID 2855344
N'~1~,N'~2~-bis(1-methylpiperidin-4-ylidene)ethanedihydrazide
CID 3252782
N-[(1-propylpiperidin-4-ylidene)amino]acetamide
CID 3405278
N,N'-bis[(1-propylpiperidin-4-ylidene)amino]oxamide
CID 3534160
N'-[(1-propan-2-ylpiperidin-4-ylidene)amino]oxamide
CID 3641310
N-[(1-ethylpiperidin-4-ylidene)amino]acetamide
CID 4072192
N-[(1-propan-2-ylpiperidin-4-ylidene)amino]acetamide
CID 4126519
2-cyano-N'-(1-methylpiperidin-4-ylidene)acetohydrazide
CID 4267431
N'-[(1-propylpiperidin-4-ylidene)amino]oxamide
CID 4407434
N'-[(1-ethylpiperidin-4-ylidene)amino]oxamide
CID 4625776

Frequently Asked Questions

What is the IUPAC name of N'-[(1-methylpiperidin-4-ylidene)amino]oxamide?
The IUPAC name of N'-[(1-methylpiperidin-4-ylidene)amino]oxamide (CID 4161809) is N'-[(1-methylpiperidin-4-ylidene)amino]oxamide.
What is the SMILES notation for N'-[(1-methylpiperidin-4-ylidene)amino]oxamide?
The canonical SMILES for N'-[(1-methylpiperidin-4-ylidene)amino]oxamide is CN1CCC(=NNC(=O)C(N)=O)CC1.
What is the InChIKey of N'-[(1-methylpiperidin-4-ylidene)amino]oxamide?
The InChIKey is UPJOQAUZPDJUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-12-4-2-6(3-5-12)10-11-8(14)7(9)13/h2-5H2,1H3,(H2,9,13)(H,11,14).
What are the key properties of N'-[(1-methylpiperidin-4-ylidene)amino]oxamide?
N'-[(1-methylpiperidin-4-ylidene)amino]oxamide has a molecular weight of 198.23 g/mol, XLogP of -1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-methylpiperidin-4-ylidene)amino]oxamide is sourced from PubChem (CID 4161809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).