N-amino-3-oxo-N'-propylpiperazine-1-carboximidamide

C8H17N5O — CID 104883370

IUPACN-amino-3-oxo-N'-propylpiperazine-1-carboximidamide
SMILESCCC/N=C(\NN)N1CCNC(=O)C1
InChIInChI=1S/C8H17N5O/c1-2-3-11-8(12-9)13-5-4-10-7(14)6-13/h2-6,9H2,1H3,(H,10,14)(H,11,12)
InChIKeyXFKMFMODMYTZQI-UHFFFAOYSA-N
MW199.26 g/mol
LogP-1.35
Rot. Bonds2

About N-amino-3-oxo-N'-propylpiperazine-1-carboximidamide

N-amino-3-oxo-N'-propylpiperazine-1-carboximidamide (PubChem CID 104883370) has the molecular formula C8H17N5O and a molecular weight of 199.26 g/mol. Its IUPAC name is N-amino-3-oxo-N'-propylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-3-oxo-N'-propylpiperazine-1-carboximidamide
PubChem CID104883370
Molecular FormulaC8H17N5O
Molecular Weight199.26 g/mol
Exact Mass199.14
IUPAC NameN-amino-3-oxo-N'-propylpiperazine-1-carboximidamide
SMILESCCC/N=C(\NN)N1CCNC(=O)C1
InChIInChI=1S/C8H17N5O/c1-2-3-11-8(12-9)13-5-4-10-7(14)6-13/h2-6,9H2,1H3,(H,10,14)(H,11,12)
InChIKeyXFKMFMODMYTZQI-UHFFFAOYSA-N
XLogP-1.35
TPSA82.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-oxopiperazine-1-carboxamide
CID 53017572
N-hexyl-3-oxopiperazine-1-carboxamide
CID 134847041
N-amino-N'-butyl-4-methyl-3-oxopiperazine-1-carboximidamide
CID 104886722
N-amino-N'-propylthiomorpholine-4-carboximidamide
CID 104883433
N-methyl-3-oxopiperazine-1-carboxamide
CID 53017571
4-(2,2-dimethylbutanoyl)piperazin-2-one
CID 62848971
4-[(2S)-2-aminobutanoyl]piperazin-2-one
CID 79025324
4-acetylpiperazin-2-one
CID 12744517
4-(2-aminohexanoyl)piperazin-2-one
CID 60853843
4-(2-methylpentanoyl)piperazin-2-one
CID 42930413
3-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid
CID 61182862
4-(6-amino-4,4-dimethylhexanoyl)piperazin-2-one
CID 65292594

Frequently Asked Questions

What is the IUPAC name of N-amino-3-oxo-N'-propylpiperazine-1-carboximidamide?
The IUPAC name of N-amino-3-oxo-N'-propylpiperazine-1-carboximidamide (CID 104883370) is N-amino-3-oxo-N'-propylpiperazine-1-carboximidamide.
What is the SMILES notation for N-amino-3-oxo-N'-propylpiperazine-1-carboximidamide?
The canonical SMILES for N-amino-3-oxo-N'-propylpiperazine-1-carboximidamide is CCC/N=C(\NN)N1CCNC(=O)C1.
What is the InChIKey of N-amino-3-oxo-N'-propylpiperazine-1-carboximidamide?
The InChIKey is XFKMFMODMYTZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5O/c1-2-3-11-8(12-9)13-5-4-10-7(14)6-13/h2-6,9H2,1H3,(H,10,14)(H,11,12).
What are the key properties of N-amino-3-oxo-N'-propylpiperazine-1-carboximidamide?
N-amino-3-oxo-N'-propylpiperazine-1-carboximidamide has a molecular weight of 199.26 g/mol, XLogP of -1.35, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-3-oxo-N'-propylpiperazine-1-carboximidamide is sourced from PubChem (CID 104883370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).