2-(2-oxopiperazin-1-yl)guanidine

C5H11N5O — CID 68593148

IUPAC2-(2-oxopiperazin-1-yl)guanidine
SMILESNC(N)=NN1CCNCC1=O
InChIInChI=1S/C5H11N5O/c6-5(7)9-10-2-1-8-3-4(10)11/h8H,1-3H2,(H4,6,7,9)
InChIKeyYENIOLTXOAQYRS-UHFFFAOYSA-N
MW157.18 g/mol
LogP-2.39
Rot. Bonds1

About 2-(2-oxopiperazin-1-yl)guanidine

2-(2-oxopiperazin-1-yl)guanidine (PubChem CID 68593148) has the molecular formula C5H11N5O and a molecular weight of 157.18 g/mol. Its IUPAC name is 2-(2-oxopiperazin-1-yl)guanidine.

Molecular Properties

Compound Name2-(2-oxopiperazin-1-yl)guanidine
PubChem CID68593148
Molecular FormulaC5H11N5O
Molecular Weight157.18 g/mol
Exact Mass157.10
IUPAC Name2-(2-oxopiperazin-1-yl)guanidine
SMILESNC(N)=NN1CCNCC1=O
InChIInChI=1S/C5H11N5O/c6-5(7)9-10-2-1-8-3-4(10)11/h8H,1-3H2,(H4,6,7,9)
InChIKeyYENIOLTXOAQYRS-UHFFFAOYSA-N
XLogP-2.39
TPSA96.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.18
LogP ≤ 5-2.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-butan-2-ylpiperazin-2-one;hydrobromide
CID 141488903
1-(azetidin-3-yl)piperazin-2-one
CID 163241212
1-[(2S)-2-hydroxypropyl]piperazin-2-one
CID 96979456
1-tert-butylpiperazin-2-one;molecular hydrogen
CID 142393051
1-prop-1-enylpiperazin-2-one
CID 141488928
1-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one
CID 66660500
1-(4-isocyanatophenyl)piperazin-2-one
CID 169355004
1-(1-cyclohexylpropyl)piperazin-2-one
CID 64566211
3-oxo-5,6,7,8-tetrahydro-2H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 155641058
1-butan-2-yl-1,4-diazocan-2-one
CID 117016136
1-(2-methylbutyl)piperazin-2-one;hydrobromide
CID 141488890
1-(4-iodophenyl)piperazin-2-one
CID 86225191

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopiperazin-1-yl)guanidine?
The IUPAC name of 2-(2-oxopiperazin-1-yl)guanidine (CID 68593148) is 2-(2-oxopiperazin-1-yl)guanidine.
What is the SMILES notation for 2-(2-oxopiperazin-1-yl)guanidine?
The canonical SMILES for 2-(2-oxopiperazin-1-yl)guanidine is NC(N)=NN1CCNCC1=O.
What is the InChIKey of 2-(2-oxopiperazin-1-yl)guanidine?
The InChIKey is YENIOLTXOAQYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5O/c6-5(7)9-10-2-1-8-3-4(10)11/h8H,1-3H2,(H4,6,7,9).
What are the key properties of 2-(2-oxopiperazin-1-yl)guanidine?
2-(2-oxopiperazin-1-yl)guanidine has a molecular weight of 157.18 g/mol, XLogP of -2.39, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopiperazin-1-yl)guanidine is sourced from PubChem (CID 68593148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).