N'-[(1-methylpiperidin-4-ylidene)amino]-N-propan-2-yloxamide

C11H20N4O2 — CID 2855344

IUPACN'-[(1-methylpiperidin-4-ylidene)amino]-N-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)NN=C1CCN(C)CC1
InChIInChI=1S/C11H20N4O2/c1-8(2)12-10(16)11(17)14-13-9-4-6-15(3)7-5-9/h8H,4-7H2,1-3H3,(H,12,16)(H,14,17)
InChIKeyVDXMTOCAOCMPIS-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.29
Rot. Bonds2

About N'-[(1-methylpiperidin-4-ylidene)amino]-N-propan-2-yloxamide

N'-[(1-methylpiperidin-4-ylidene)amino]-N-propan-2-yloxamide (PubChem CID 2855344) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is N'-[(1-methylpiperidin-4-ylidene)amino]-N-propan-2-yloxamide.

Molecular Properties

Compound NameN'-[(1-methylpiperidin-4-ylidene)amino]-N-propan-2-yloxamide
PubChem CID2855344
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC NameN'-[(1-methylpiperidin-4-ylidene)amino]-N-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)NN=C1CCN(C)CC1
InChIInChI=1S/C11H20N4O2/c1-8(2)12-10(16)11(17)14-13-9-4-6-15(3)7-5-9/h8H,4-7H2,1-3H3,(H,12,16)(H,14,17)
InChIKeyVDXMTOCAOCMPIS-UHFFFAOYSA-N
XLogP-0.29
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.29
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-propan-2-yloxamide?
The IUPAC name of N'-[(1-methylpiperidin-4-ylidene)amino]-N-propan-2-yloxamide (CID 2855344) is N'-[(1-methylpiperidin-4-ylidene)amino]-N-propan-2-yloxamide.
What is the SMILES notation for N'-[(1-methylpiperidin-4-ylidene)amino]-N-propan-2-yloxamide?
The canonical SMILES for N'-[(1-methylpiperidin-4-ylidene)amino]-N-propan-2-yloxamide is CC(C)NC(=O)C(=O)NN=C1CCN(C)CC1.
What is the InChIKey of N'-[(1-methylpiperidin-4-ylidene)amino]-N-propan-2-yloxamide?
The InChIKey is VDXMTOCAOCMPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-8(2)12-10(16)11(17)14-13-9-4-6-15(3)7-5-9/h8H,4-7H2,1-3H3,(H,12,16)(H,14,17).
What are the key properties of N'-[(1-methylpiperidin-4-ylidene)amino]-N-propan-2-yloxamide?
N'-[(1-methylpiperidin-4-ylidene)amino]-N-propan-2-yloxamide has a molecular weight of 240.31 g/mol, XLogP of -0.29, 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-propan-2-yloxamide is sourced from PubChem (CID 2855344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).