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

C14H24N6O2 — CID 3252782

IUPACN,N'-bis[(1-methylpiperidin-4-ylidene)amino]oxamide
SMILESCN1CCC(=NNC(=O)C(=O)NN=C2CCN(C)CC2)CC1
InChIInChI=1S/C14H24N6O2/c1-19-7-3-11(4-8-19)15-17-13(21)14(22)18-16-12-5-9-20(2)10-6-12/h3-10H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyCYLYIQUBODQZNC-UHFFFAOYSA-N
MW308.39 g/mol
LogP-0.62
Rot. Bonds2

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

N,N'-bis[(1-methylpiperidin-4-ylidene)amino]oxamide (PubChem CID 3252782) has the molecular formula C14H24N6O2 and a molecular weight of 308.39 g/mol. Its IUPAC name is N,N'-bis[(1-methylpiperidin-4-ylidene)amino]oxamide.

Molecular Properties

Compound NameN,N'-bis[(1-methylpiperidin-4-ylidene)amino]oxamide
PubChem CID3252782
Molecular FormulaC14H24N6O2
Molecular Weight308.39 g/mol
Exact Mass308.20
IUPAC NameN,N'-bis[(1-methylpiperidin-4-ylidene)amino]oxamide
SMILESCN1CCC(=NNC(=O)C(=O)NN=C2CCN(C)CC2)CC1
InChIInChI=1S/C14H24N6O2/c1-19-7-3-11(4-8-19)15-17-13(21)14(22)18-16-12-5-9-20(2)10-6-12/h3-10H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyCYLYIQUBODQZNC-UHFFFAOYSA-N
XLogP-0.62
TPSA89.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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,N'-bis[(1-methylpiperidin-4-ylidene)amino]oxamide?
The IUPAC name of N,N'-bis[(1-methylpiperidin-4-ylidene)amino]oxamide (CID 3252782) is N,N'-bis[(1-methylpiperidin-4-ylidene)amino]oxamide.
What is the SMILES notation for N,N'-bis[(1-methylpiperidin-4-ylidene)amino]oxamide?
The canonical SMILES for N,N'-bis[(1-methylpiperidin-4-ylidene)amino]oxamide is CN1CCC(=NNC(=O)C(=O)NN=C2CCN(C)CC2)CC1.
What is the InChIKey of N,N'-bis[(1-methylpiperidin-4-ylidene)amino]oxamide?
The InChIKey is CYLYIQUBODQZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O2/c1-19-7-3-11(4-8-19)15-17-13(21)14(22)18-16-12-5-9-20(2)10-6-12/h3-10H2,1-2H3,(H,17,21)(H,18,22).
What are the key properties of N,N'-bis[(1-methylpiperidin-4-ylidene)amino]oxamide?
N,N'-bis[(1-methylpiperidin-4-ylidene)amino]oxamide has a molecular weight of 308.39 g/mol, XLogP of -0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(1-methylpiperidin-4-ylidene)amino]oxamide is sourced from PubChem (CID 3252782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).