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

C15H20N4O2 — CID 2854714

IUPACN-benzyl-N'-[(1-methylpiperidin-4-ylidene)amino]oxamide
SMILESCN1CCC(=NNC(=O)C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C15H20N4O2/c1-19-9-7-13(8-10-19)17-18-15(21)14(20)16-11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,16,20)(H,18,21)
InChIKeySBQWFXNCWSARLN-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.50
Rot. Bonds3

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

N-benzyl-N'-[(1-methylpiperidin-4-ylidene)amino]oxamide (PubChem CID 2854714) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-benzyl-N'-[(1-methylpiperidin-4-ylidene)amino]oxamide.

Molecular Properties

Compound NameN-benzyl-N'-[(1-methylpiperidin-4-ylidene)amino]oxamide
PubChem CID2854714
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-benzyl-N'-[(1-methylpiperidin-4-ylidene)amino]oxamide
SMILESCN1CCC(=NNC(=O)C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C15H20N4O2/c1-19-9-7-13(8-10-19)17-18-15(21)14(20)16-11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,16,20)(H,18,21)
InChIKeySBQWFXNCWSARLN-UHFFFAOYSA-N
XLogP0.50
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.50
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-benzyl-N'-[(1-methylpiperidin-4-ylidene)amino]oxamide?
The IUPAC name of N-benzyl-N'-[(1-methylpiperidin-4-ylidene)amino]oxamide (CID 2854714) is N-benzyl-N'-[(1-methylpiperidin-4-ylidene)amino]oxamide.
What is the SMILES notation for N-benzyl-N'-[(1-methylpiperidin-4-ylidene)amino]oxamide?
The canonical SMILES for N-benzyl-N'-[(1-methylpiperidin-4-ylidene)amino]oxamide is CN1CCC(=NNC(=O)C(=O)NCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-N'-[(1-methylpiperidin-4-ylidene)amino]oxamide?
The InChIKey is SBQWFXNCWSARLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-19-9-7-13(8-10-19)17-18-15(21)14(20)16-11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,16,20)(H,18,21).
What are the key properties of N-benzyl-N'-[(1-methylpiperidin-4-ylidene)amino]oxamide?
N-benzyl-N'-[(1-methylpiperidin-4-ylidene)amino]oxamide has a molecular weight of 288.35 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-[(1-methylpiperidin-4-ylidene)amino]oxamide is sourced from PubChem (CID 2854714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).