N-methyl-2-(6-methyl-3-methylimino-2-oxopiperazin-1-yl)acetamide

C9H16N4O2 — CID 135794679

IUPACN-methyl-2-(6-methyl-3-methylimino-2-oxopiperazin-1-yl)acetamide
SMILESC/N=C1\NCC(C)N(CC(=O)NC)C1=O
InChIInChI=1S/C9H16N4O2/c1-6-4-12-8(11-3)9(15)13(6)5-7(14)10-2/h6H,4-5H2,1-3H3,(H,10,14)(H,11,12)
InChIKeyCOGAQEULCYGBMU-UHFFFAOYSA-N
MW212.25 g/mol
LogP-1.42
Rot. Bonds2

About N-methyl-2-(6-methyl-3-methylimino-2-oxopiperazin-1-yl)acetamide

N-methyl-2-(6-methyl-3-methylimino-2-oxopiperazin-1-yl)acetamide (PubChem CID 135794679) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is N-methyl-2-(6-methyl-3-methylimino-2-oxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(6-methyl-3-methylimino-2-oxopiperazin-1-yl)acetamide
PubChem CID135794679
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC NameN-methyl-2-(6-methyl-3-methylimino-2-oxopiperazin-1-yl)acetamide
SMILESC/N=C1\NCC(C)N(CC(=O)NC)C1=O
InChIInChI=1S/C9H16N4O2/c1-6-4-12-8(11-3)9(15)13(6)5-7(14)10-2/h6H,4-5H2,1-3H3,(H,10,14)(H,11,12)
InChIKeyCOGAQEULCYGBMU-UHFFFAOYSA-N
XLogP-1.42
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-1.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(6-methyl-3-methylimino-2-oxopiperazin-1-yl)acetamide?
The IUPAC name of N-methyl-2-(6-methyl-3-methylimino-2-oxopiperazin-1-yl)acetamide (CID 135794679) is N-methyl-2-(6-methyl-3-methylimino-2-oxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-methyl-2-(6-methyl-3-methylimino-2-oxopiperazin-1-yl)acetamide?
The canonical SMILES for N-methyl-2-(6-methyl-3-methylimino-2-oxopiperazin-1-yl)acetamide is C/N=C1\NCC(C)N(CC(=O)NC)C1=O.
What is the InChIKey of N-methyl-2-(6-methyl-3-methylimino-2-oxopiperazin-1-yl)acetamide?
The InChIKey is COGAQEULCYGBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-6-4-12-8(11-3)9(15)13(6)5-7(14)10-2/h6H,4-5H2,1-3H3,(H,10,14)(H,11,12).
What are the key properties of N-methyl-2-(6-methyl-3-methylimino-2-oxopiperazin-1-yl)acetamide?
N-methyl-2-(6-methyl-3-methylimino-2-oxopiperazin-1-yl)acetamide has a molecular weight of 212.25 g/mol, XLogP of -1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(6-methyl-3-methylimino-2-oxopiperazin-1-yl)acetamide is sourced from PubChem (CID 135794679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).