3-(4-methyl-2,5-dioxopiperazin-1-yl)propanamide

C8H13N3O3 — CID 79941482

IUPAC3-(4-methyl-2,5-dioxopiperazin-1-yl)propanamide
SMILESCN1CC(=O)N(CCC(N)=O)CC1=O
InChIInChI=1S/C8H13N3O3/c1-10-4-8(14)11(5-7(10)13)3-2-6(9)12/h2-5H2,1H3,(H2,9,12)
InChIKeyROFOMXHVKMXZBX-UHFFFAOYSA-N
MW199.21 g/mol
LogP-1.84
Rot. Bonds3

About 3-(4-methyl-2,5-dioxopiperazin-1-yl)propanamide

3-(4-methyl-2,5-dioxopiperazin-1-yl)propanamide (PubChem CID 79941482) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 3-(4-methyl-2,5-dioxopiperazin-1-yl)propanamide.

Molecular Properties

Compound Name3-(4-methyl-2,5-dioxopiperazin-1-yl)propanamide
PubChem CID79941482
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name3-(4-methyl-2,5-dioxopiperazin-1-yl)propanamide
SMILESCN1CC(=O)N(CCC(N)=O)CC1=O
InChIInChI=1S/C8H13N3O3/c1-10-4-8(14)11(5-7(10)13)3-2-6(9)12/h2-5H2,1H3,(H2,9,12)
InChIKeyROFOMXHVKMXZBX-UHFFFAOYSA-N
XLogP-1.84
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2,5-dioxopiperazin-1-yl)propanamide?
The IUPAC name of 3-(4-methyl-2,5-dioxopiperazin-1-yl)propanamide (CID 79941482) is 3-(4-methyl-2,5-dioxopiperazin-1-yl)propanamide.
What is the SMILES notation for 3-(4-methyl-2,5-dioxopiperazin-1-yl)propanamide?
The canonical SMILES for 3-(4-methyl-2,5-dioxopiperazin-1-yl)propanamide is CN1CC(=O)N(CCC(N)=O)CC1=O.
What is the InChIKey of 3-(4-methyl-2,5-dioxopiperazin-1-yl)propanamide?
The InChIKey is ROFOMXHVKMXZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-10-4-8(14)11(5-7(10)13)3-2-6(9)12/h2-5H2,1H3,(H2,9,12).
What are the key properties of 3-(4-methyl-2,5-dioxopiperazin-1-yl)propanamide?
3-(4-methyl-2,5-dioxopiperazin-1-yl)propanamide has a molecular weight of 199.21 g/mol, XLogP of -1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2,5-dioxopiperazin-1-yl)propanamide is sourced from PubChem (CID 79941482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).