N-methyl-3,6-dioxopiperazine-2-carboxamide

C6H9N3O3 — CID 53437738

IUPACN-methyl-3,6-dioxopiperazine-2-carboxamide
SMILESCNC(=O)C1NC(=O)CNC1=O
InChIInChI=1S/C6H9N3O3/c1-7-5(11)4-6(12)8-2-3(10)9-4/h4H,2H2,1H3,(H,7,11)(H,8,12)(H,9,10)
InChIKeyPSHNARPRUUVFHS-UHFFFAOYSA-N
MW171.16 g/mol
LogP-2.65
Rot. Bonds1

About N-methyl-3,6-dioxopiperazine-2-carboxamide

N-methyl-3,6-dioxopiperazine-2-carboxamide (PubChem CID 53437738) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is N-methyl-3,6-dioxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-3,6-dioxopiperazine-2-carboxamide
PubChem CID53437738
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC NameN-methyl-3,6-dioxopiperazine-2-carboxamide
SMILESCNC(=O)C1NC(=O)CNC1=O
InChIInChI=1S/C6H9N3O3/c1-7-5(11)4-6(12)8-2-3(10)9-4/h4H,2H2,1H3,(H,7,11)(H,8,12)(H,9,10)
InChIKeyPSHNARPRUUVFHS-UHFFFAOYSA-N
XLogP-2.65
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-2.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3,6-Dimethylpiperazine-2,5-dione
CID 97704
2-Piperazinone, 3,3-dimethyl-
CID 211157
Cyclo(alanyl-glycyl)
CID 107297
Cyclo(alanylalanyl)
CID 165356
N-butyl-2-(3-oxopiperazin-2-yl)acetamide
CID 2955610
L-Alanylglycinamide
CID 7019037
Glycyl-l-alaninamide
CID 7019077
Alanine anhydride, trans-(A+-)-
CID 676438
D-Alanine anhydride
CID 676439
3-Ethylpiperazin-2-one
CID 4712457
Piperazine-2-carboxamide
CID 3019914
2-((1-Hydroxyethylidene)amino)-N-methylpropanimidic acid
CID 141892

Frequently Asked Questions

What is the IUPAC name of N-methyl-3,6-dioxopiperazine-2-carboxamide?
The IUPAC name of N-methyl-3,6-dioxopiperazine-2-carboxamide (CID 53437738) is N-methyl-3,6-dioxopiperazine-2-carboxamide.
What is the SMILES notation for N-methyl-3,6-dioxopiperazine-2-carboxamide?
The canonical SMILES for N-methyl-3,6-dioxopiperazine-2-carboxamide is CNC(=O)C1NC(=O)CNC1=O.
What is the InChIKey of N-methyl-3,6-dioxopiperazine-2-carboxamide?
The InChIKey is PSHNARPRUUVFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3/c1-7-5(11)4-6(12)8-2-3(10)9-4/h4H,2H2,1H3,(H,7,11)(H,8,12)(H,9,10).
What are the key properties of N-methyl-3,6-dioxopiperazine-2-carboxamide?
N-methyl-3,6-dioxopiperazine-2-carboxamide has a molecular weight of 171.16 g/mol, XLogP of -2.65, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3,6-dioxopiperazine-2-carboxamide is sourced from PubChem (CID 53437738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).