N-tert-butyl-N'-(4-methylpiperazin-1-yl)oxamide

C11H22N4O2 — CID 45000132

IUPACN-tert-butyl-N'-(4-methylpiperazin-1-yl)oxamide
SMILESCN1CCN(NC(=O)C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C11H22N4O2/c1-11(2,3)12-9(16)10(17)13-15-7-5-14(4)6-8-15/h5-8H2,1-4H3,(H,12,16)(H,13,17)
InChIKeyVEDGXIJPUYWMIL-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.82
Rot. Bonds1

About N-tert-butyl-N'-(4-methylpiperazin-1-yl)oxamide

N-tert-butyl-N'-(4-methylpiperazin-1-yl)oxamide (PubChem CID 45000132) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-tert-butyl-N'-(4-methylpiperazin-1-yl)oxamide.

Molecular Properties

Compound NameN-tert-butyl-N'-(4-methylpiperazin-1-yl)oxamide
PubChem CID45000132
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC NameN-tert-butyl-N'-(4-methylpiperazin-1-yl)oxamide
SMILESCN1CCN(NC(=O)C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C11H22N4O2/c1-11(2,3)12-9(16)10(17)13-15-7-5-14(4)6-8-15/h5-8H2,1-4H3,(H,12,16)(H,13,17)
InChIKeyVEDGXIJPUYWMIL-UHFFFAOYSA-N
XLogP-0.82
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-(4-methylpiperazin-1-yl)oxamide?
The IUPAC name of N-tert-butyl-N'-(4-methylpiperazin-1-yl)oxamide (CID 45000132) is N-tert-butyl-N'-(4-methylpiperazin-1-yl)oxamide.
What is the SMILES notation for N-tert-butyl-N'-(4-methylpiperazin-1-yl)oxamide?
The canonical SMILES for N-tert-butyl-N'-(4-methylpiperazin-1-yl)oxamide is CN1CCN(NC(=O)C(=O)NC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-N'-(4-methylpiperazin-1-yl)oxamide?
The InChIKey is VEDGXIJPUYWMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-11(2,3)12-9(16)10(17)13-15-7-5-14(4)6-8-15/h5-8H2,1-4H3,(H,12,16)(H,13,17).
What are the key properties of N-tert-butyl-N'-(4-methylpiperazin-1-yl)oxamide?
N-tert-butyl-N'-(4-methylpiperazin-1-yl)oxamide has a molecular weight of 242.32 g/mol, XLogP of -0.82, 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'-(4-methylpiperazin-1-yl)oxamide is sourced from PubChem (CID 45000132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).