3-(2,5-dioxopiperazin-1-yl)-N'-hydroxypropanimidamide

C7H12N4O3 — CID 76587988

IUPAC3-(2,5-dioxopiperazin-1-yl)-N'-hydroxypropanimidamide
SMILESNC(CCN1CC(=O)NCC1=O)=NO
InChIInChI=1S/C7H12N4O3/c8-5(10-14)1-2-11-4-6(12)9-3-7(11)13/h14H,1-4H2,(H2,8,10)(H,9,12)
InChIKeyJSSJSWQVBYFNHY-UHFFFAOYSA-N
MW200.20 g/mol
LogP-1.92
Rot. Bonds3

About 3-(2,5-dioxopiperazin-1-yl)-N'-hydroxypropanimidamide

3-(2,5-dioxopiperazin-1-yl)-N'-hydroxypropanimidamide (PubChem CID 76587988) has the molecular formula C7H12N4O3 and a molecular weight of 200.20 g/mol. Its IUPAC name is 3-(2,5-dioxopiperazin-1-yl)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-(2,5-dioxopiperazin-1-yl)-N'-hydroxypropanimidamide
PubChem CID76587988
Molecular FormulaC7H12N4O3
Molecular Weight200.20 g/mol
Exact Mass200.09
IUPAC Name3-(2,5-dioxopiperazin-1-yl)-N'-hydroxypropanimidamide
SMILESNC(CCN1CC(=O)NCC1=O)=NO
InChIInChI=1S/C7H12N4O3/c8-5(10-14)1-2-11-4-6(12)9-3-7(11)13/h14H,1-4H2,(H2,8,10)(H,9,12)
InChIKeyJSSJSWQVBYFNHY-UHFFFAOYSA-N
XLogP-1.92
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 5-1.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;1-propylpiperazine-2,5-dione
CID 165138491
1-(4-aminobutyl)piperazine-2,5-dione
CID 54292363
N'-hydroxy-3-(2-oxopyrrolidin-1-yl)propanimidamide
CID 76587960
azane;1-butylpiperazine-2,5-dione
CID 174744496
1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
CID 64874237
1-[2-(3-methoxypropoxy)ethyl]piperazine-2,5-dione
CID 103184626
1-(3-phenylpropyl)piperazine-2,5-dione
CID 64874242
1-(cyclobutylmethyl)piperazine-2,5-dione
CID 64956054
1-(3-imidazol-1-ylpropyl)piperazine-2,5-dione
CID 64874044
2-[7-[3-(diaminomethylideneamino)propyl]-10-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclopentadec-1-yl]acetic acid
CID 101460710
3-[4-[(3E)-3-amino-3-hydroxyiminopropyl]piperazin-1-yl]-N'-hydroxypropanimidamide
CID 87231403
3-(4-methyl-2,5-dioxopiperazin-1-yl)propanamide
CID 79941482

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopiperazin-1-yl)-N'-hydroxypropanimidamide?
The IUPAC name of 3-(2,5-dioxopiperazin-1-yl)-N'-hydroxypropanimidamide (CID 76587988) is 3-(2,5-dioxopiperazin-1-yl)-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-(2,5-dioxopiperazin-1-yl)-N'-hydroxypropanimidamide?
The canonical SMILES for 3-(2,5-dioxopiperazin-1-yl)-N'-hydroxypropanimidamide is NC(CCN1CC(=O)NCC1=O)=NO.
What is the InChIKey of 3-(2,5-dioxopiperazin-1-yl)-N'-hydroxypropanimidamide?
The InChIKey is JSSJSWQVBYFNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3/c8-5(10-14)1-2-11-4-6(12)9-3-7(11)13/h14H,1-4H2,(H2,8,10)(H,9,12).
What are the key properties of 3-(2,5-dioxopiperazin-1-yl)-N'-hydroxypropanimidamide?
3-(2,5-dioxopiperazin-1-yl)-N'-hydroxypropanimidamide has a molecular weight of 200.20 g/mol, XLogP of -1.92, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopiperazin-1-yl)-N'-hydroxypropanimidamide is sourced from PubChem (CID 76587988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).