4-cyclopropyl-N-ethyl-3-oxo-N'-(2-pyridin-4-ylethyl)piperazine-1-carboximidamide;hydroiodide

C17H26IN5O — CID 119158923

IUPAC4-cyclopropyl-N-ethyl-3-oxo-N'-(2-pyridin-4-ylethyl)piperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCc1ccncc1)N1CCN(C2CC2)C(=O)C1.I
InChIInChI=1S/C17H25N5O.HI/c1-2-19-17(20-10-7-14-5-8-18-9-6-14)21-11-12-22(15-3-4-15)16(23)13-21;/h5-6,8-9,15H,2-4,7,10-13H2,1H3,(H,19,20);1H
InChIKeyCXNCWGXFQSSNBQ-UHFFFAOYSA-N
MW443.33 g/mol
LogP1.51
Rot. Bonds5

About 4-cyclopropyl-N-ethyl-3-oxo-N'-(2-pyridin-4-ylethyl)piperazine-1-carboximidamide;hydroiodide

4-cyclopropyl-N-ethyl-3-oxo-N'-(2-pyridin-4-ylethyl)piperazine-1-carboximidamide;hydroiodide (PubChem CID 119158923) has the molecular formula C17H26IN5O and a molecular weight of 443.33 g/mol. Its IUPAC name is 4-cyclopropyl-N-ethyl-3-oxo-N'-(2-pyridin-4-ylethyl)piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-cyclopropyl-N-ethyl-3-oxo-N'-(2-pyridin-4-ylethyl)piperazine-1-carboximidamide;hydroiodide
PubChem CID119158923
Molecular FormulaC17H26IN5O
Molecular Weight443.33 g/mol
Exact Mass443.12
IUPAC Name4-cyclopropyl-N-ethyl-3-oxo-N'-(2-pyridin-4-ylethyl)piperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCc1ccncc1)N1CCN(C2CC2)C(=O)C1.I
InChIInChI=1S/C17H25N5O.HI/c1-2-19-17(20-10-7-14-5-8-18-9-6-14)21-11-12-22(15-3-4-15)16(23)13-21;/h5-6,8-9,15H,2-4,7,10-13H2,1H3,(H,19,20);1H
InChIKeyCXNCWGXFQSSNBQ-UHFFFAOYSA-N
XLogP1.51
TPSA60.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

4-cyclopropyl-N-ethyl-3-oxo-N'-(2-pyridin-4-ylethyl)piperazine-1-carboximidamide
CID 119158924
4-cyclopropyl-N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-ethyl-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 119158866
4-cyclopropyl-N-ethyl-3-oxo-N'-(2-thiomorpholin-4-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 119154397
4-cyclopropyl-N-ethyl-N'-[(1-methylcyclopropyl)methyl]-3-oxopiperazine-1-carboximidamide
CID 119162700
2-[[(4-cyclopropyl-3-oxopiperazin-1-yl)-(ethylamino)methylidene]amino]-N-propan-2-ylacetamide
CID 119158926
4-cyclopropyl-N-ethyl-N'-[(2-hydroxycyclopentyl)methyl]-3-oxopiperazine-1-carboximidamide
CID 119155547
N'-[(1-acetylpiperidin-4-yl)methyl]-4-cyclopropyl-N-ethyl-3-oxopiperazine-1-carboximidamide
CID 119157402
4-cyclopropyl-N-ethyl-3-oxo-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 119154329
4-cyclopropyl-N-ethyl-N'-[(1-hydroxycyclohexyl)methyl]-3-oxopiperazine-1-carboximidamide
CID 119152889
N-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)-N'-(2-pyridin-4-ylethyl)piperazine-1-carboximidamide
CID 119159184
4-cyclopropyl-N-ethyl-N'-[(4-methylsulfanyloxan-4-yl)methyl]-3-oxopiperazine-1-carboximidamide
CID 119157456
4-cyclopropyl-N'-[[3-(dimethylamino)thiolan-3-yl]methyl]-N-ethyl-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 119157722

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-ethyl-3-oxo-N'-(2-pyridin-4-ylethyl)piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-cyclopropyl-N-ethyl-3-oxo-N'-(2-pyridin-4-ylethyl)piperazine-1-carboximidamide;hydroiodide (CID 119158923) is 4-cyclopropyl-N-ethyl-3-oxo-N'-(2-pyridin-4-ylethyl)piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-cyclopropyl-N-ethyl-3-oxo-N'-(2-pyridin-4-ylethyl)piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-cyclopropyl-N-ethyl-3-oxo-N'-(2-pyridin-4-ylethyl)piperazine-1-carboximidamide;hydroiodide is CCN/C(=N\CCc1ccncc1)N1CCN(C2CC2)C(=O)C1.I.
What is the InChIKey of 4-cyclopropyl-N-ethyl-3-oxo-N'-(2-pyridin-4-ylethyl)piperazine-1-carboximidamide;hydroiodide?
The InChIKey is CXNCWGXFQSSNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O.HI/c1-2-19-17(20-10-7-14-5-8-18-9-6-14)21-11-12-22(15-3-4-15)16(23)13-21;/h5-6,8-9,15H,2-4,7,10-13H2,1H3,(H,19,20);1H.
What are the key properties of 4-cyclopropyl-N-ethyl-3-oxo-N'-(2-pyridin-4-ylethyl)piperazine-1-carboximidamide;hydroiodide?
4-cyclopropyl-N-ethyl-3-oxo-N'-(2-pyridin-4-ylethyl)piperazine-1-carboximidamide;hydroiodide has a molecular weight of 443.33 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-ethyl-3-oxo-N'-(2-pyridin-4-ylethyl)piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119158923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).