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

C8H16N4O — CID 62359556

IUPAC3-oxo-N'-propylpiperazine-1-carboximidamide
SMILESCCC/N=C(\N)N1CCNC(=O)C1
InChIInChI=1S/C8H16N4O/c1-2-3-11-8(9)12-5-4-10-7(13)6-12/h2-6H2,1H3,(H2,9,11)(H,10,13)
InChIKeyLYNRXLRAOLASQI-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.86
Rot. Bonds2

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

3-oxo-N'-propylpiperazine-1-carboximidamide (PubChem CID 62359556) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-oxo-N'-propylpiperazine-1-carboximidamide.

Molecular Properties

Compound Name3-oxo-N'-propylpiperazine-1-carboximidamide
PubChem CID62359556
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name3-oxo-N'-propylpiperazine-1-carboximidamide
SMILESCCC/N=C(\N)N1CCNC(=O)C1
InChIInChI=1S/C8H16N4O/c1-2-3-11-8(9)12-5-4-10-7(13)6-12/h2-6H2,1H3,(H2,9,11)(H,10,13)
InChIKeyLYNRXLRAOLASQI-UHFFFAOYSA-N
XLogP-0.86
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N-ethyl-2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide;hydroiodide
CID 109377262
N-ethyl-2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide
CID 109377263
N-methyl-2-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 109377509
2-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]-N-propylacetamide;hydroiodide
CID 109378633
2-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]-N-propylacetamide
CID 109378634
2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]-N-propylacetamide
CID 109379126
1-[2-(4-Acetylpiperazin-1-yl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109473413
2-Methyl-1-(2-oxo-2-piperidin-1-ylethyl)-3-(3,3,3-trifluoropropyl)guanidine
CID 109473429
1-[2-(4-Acetylpiperazin-1-yl)ethyl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109474322
1-[2-(4-Acetylpiperazin-1-yl)ethyl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine
CID 109474323
2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111493636
N-methyl-2-[[N-methyl-C-[4-(2-methylpropyl)piperazin-1-yl]carbonimidoyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 111501053

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N'-propylpiperazine-1-carboximidamide?
The IUPAC name of 3-oxo-N'-propylpiperazine-1-carboximidamide (CID 62359556) is 3-oxo-N'-propylpiperazine-1-carboximidamide.
What is the SMILES notation for 3-oxo-N'-propylpiperazine-1-carboximidamide?
The canonical SMILES for 3-oxo-N'-propylpiperazine-1-carboximidamide is CCC/N=C(\N)N1CCNC(=O)C1.
What is the InChIKey of 3-oxo-N'-propylpiperazine-1-carboximidamide?
The InChIKey is LYNRXLRAOLASQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-2-3-11-8(9)12-5-4-10-7(13)6-12/h2-6H2,1H3,(H2,9,11)(H,10,13).
What are the key properties of 3-oxo-N'-propylpiperazine-1-carboximidamide?
3-oxo-N'-propylpiperazine-1-carboximidamide has a molecular weight of 184.24 g/mol, XLogP of -0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N'-propylpiperazine-1-carboximidamide is sourced from PubChem (CID 62359556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).