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

C9H16N4O2 — CID 4625776

IUPACN'-[(1-ethylpiperidin-4-ylidene)amino]oxamide
SMILESCCN1CCC(=NNC(=O)C(N)=O)CC1
InChIInChI=1S/C9H16N4O2/c1-2-13-5-3-7(4-6-13)11-12-9(15)8(10)14/h2-6H2,1H3,(H2,10,14)(H,12,15)
InChIKeyRRSGMLRPBODRTG-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.94
Rot. Bonds2

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

N'-[(1-ethylpiperidin-4-ylidene)amino]oxamide (PubChem CID 4625776) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is N'-[(1-ethylpiperidin-4-ylidene)amino]oxamide.

Molecular Properties

Compound NameN'-[(1-ethylpiperidin-4-ylidene)amino]oxamide
PubChem CID4625776
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC NameN'-[(1-ethylpiperidin-4-ylidene)amino]oxamide
SMILESCCN1CCC(=NNC(=O)C(N)=O)CC1
InChIInChI=1S/C9H16N4O2/c1-2-13-5-3-7(4-6-13)11-12-9(15)8(10)14/h2-6H2,1H3,(H2,10,14)(H,12,15)
InChIKeyRRSGMLRPBODRTG-UHFFFAOYSA-N
XLogP-0.94
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.94
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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Frequently Asked Questions

What is the IUPAC name of N'-[(1-ethylpiperidin-4-ylidene)amino]oxamide?
The IUPAC name of N'-[(1-ethylpiperidin-4-ylidene)amino]oxamide (CID 4625776) is N'-[(1-ethylpiperidin-4-ylidene)amino]oxamide.
What is the SMILES notation for N'-[(1-ethylpiperidin-4-ylidene)amino]oxamide?
The canonical SMILES for N'-[(1-ethylpiperidin-4-ylidene)amino]oxamide is CCN1CCC(=NNC(=O)C(N)=O)CC1.
What is the InChIKey of N'-[(1-ethylpiperidin-4-ylidene)amino]oxamide?
The InChIKey is RRSGMLRPBODRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-2-13-5-3-7(4-6-13)11-12-9(15)8(10)14/h2-6H2,1H3,(H2,10,14)(H,12,15).
What are the key properties of N'-[(1-ethylpiperidin-4-ylidene)amino]oxamide?
N'-[(1-ethylpiperidin-4-ylidene)amino]oxamide has a molecular weight of 212.25 g/mol, XLogP of -0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-ethylpiperidin-4-ylidene)amino]oxamide is sourced from PubChem (CID 4625776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).