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

C14H18N4O2 — CID 2854488

IUPACN'-[(1-methylpiperidin-4-ylidene)amino]-N-phenyloxamide
SMILESCN1CCC(=NNC(=O)C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C14H18N4O2/c1-18-9-7-12(8-10-18)16-17-14(20)13(19)15-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,15,19)(H,17,20)
InChIKeyVEOISBCEMHDUKW-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.82
Rot. Bonds2

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

N'-[(1-methylpiperidin-4-ylidene)amino]-N-phenyloxamide (PubChem CID 2854488) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N'-[(1-methylpiperidin-4-ylidene)amino]-N-phenyloxamide.

Molecular Properties

Compound NameN'-[(1-methylpiperidin-4-ylidene)amino]-N-phenyloxamide
PubChem CID2854488
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN'-[(1-methylpiperidin-4-ylidene)amino]-N-phenyloxamide
SMILESCN1CCC(=NNC(=O)C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C14H18N4O2/c1-18-9-7-12(8-10-18)16-17-14(20)13(19)15-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,15,19)(H,17,20)
InChIKeyVEOISBCEMHDUKW-UHFFFAOYSA-N
XLogP0.82
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.82
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-methylpiperidin-4-ylidene)amino]-N-phenyloxamide?
The IUPAC name of N'-[(1-methylpiperidin-4-ylidene)amino]-N-phenyloxamide (CID 2854488) is N'-[(1-methylpiperidin-4-ylidene)amino]-N-phenyloxamide.
What is the SMILES notation for N'-[(1-methylpiperidin-4-ylidene)amino]-N-phenyloxamide?
The canonical SMILES for N'-[(1-methylpiperidin-4-ylidene)amino]-N-phenyloxamide is CN1CCC(=NNC(=O)C(=O)Nc2ccccc2)CC1.
What is the InChIKey of N'-[(1-methylpiperidin-4-ylidene)amino]-N-phenyloxamide?
The InChIKey is VEOISBCEMHDUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-18-9-7-12(8-10-18)16-17-14(20)13(19)15-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,15,19)(H,17,20).
What are the key properties of N'-[(1-methylpiperidin-4-ylidene)amino]-N-phenyloxamide?
N'-[(1-methylpiperidin-4-ylidene)amino]-N-phenyloxamide has a molecular weight of 274.32 g/mol, XLogP of 0.82, 2 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]-N-phenyloxamide is sourced from PubChem (CID 2854488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).