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

C12H22N4O2 — CID 2859123

IUPACN-tert-butyl-N'-[(1-methylpiperidin-4-ylidene)amino]oxamide
SMILESCN1CCC(=NNC(=O)C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C12H22N4O2/c1-12(2,3)13-10(17)11(18)15-14-9-5-7-16(4)8-6-9/h5-8H2,1-4H3,(H,13,17)(H,15,18)
InChIKeyHQHMOQVDKGUCTF-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.10
Rot. Bonds1

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

N-tert-butyl-N'-[(1-methylpiperidin-4-ylidene)amino]oxamide (PubChem CID 2859123) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-tert-butyl-N'-[(1-methylpiperidin-4-ylidene)amino]oxamide.

Molecular Properties

Compound NameN-tert-butyl-N'-[(1-methylpiperidin-4-ylidene)amino]oxamide
PubChem CID2859123
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC NameN-tert-butyl-N'-[(1-methylpiperidin-4-ylidene)amino]oxamide
SMILESCN1CCC(=NNC(=O)C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C12H22N4O2/c1-12(2,3)13-10(17)11(18)15-14-9-5-7-16(4)8-6-9/h5-8H2,1-4H3,(H,13,17)(H,15,18)
InChIKeyHQHMOQVDKGUCTF-UHFFFAOYSA-N
XLogP0.10
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.10
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-tert-butyl-N'-[(1-methylpiperidin-4-ylidene)amino]oxamide?
The IUPAC name of N-tert-butyl-N'-[(1-methylpiperidin-4-ylidene)amino]oxamide (CID 2859123) is N-tert-butyl-N'-[(1-methylpiperidin-4-ylidene)amino]oxamide.
What is the SMILES notation for N-tert-butyl-N'-[(1-methylpiperidin-4-ylidene)amino]oxamide?
The canonical SMILES for N-tert-butyl-N'-[(1-methylpiperidin-4-ylidene)amino]oxamide is CN1CCC(=NNC(=O)C(=O)NC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-N'-[(1-methylpiperidin-4-ylidene)amino]oxamide?
The InChIKey is HQHMOQVDKGUCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-12(2,3)13-10(17)11(18)15-14-9-5-7-16(4)8-6-9/h5-8H2,1-4H3,(H,13,17)(H,15,18).
What are the key properties of N-tert-butyl-N'-[(1-methylpiperidin-4-ylidene)amino]oxamide?
N-tert-butyl-N'-[(1-methylpiperidin-4-ylidene)amino]oxamide has a molecular weight of 254.33 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-[(1-methylpiperidin-4-ylidene)amino]oxamide is sourced from PubChem (CID 2859123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).