4-cyclopropyl-N-ethyl-N'-[(2-hydroxycyclopentyl)methyl]-3-oxopiperazine-1-carboximidamide

C16H28N4O2 — CID 119155547

IUPAC4-cyclopropyl-N-ethyl-N'-[(2-hydroxycyclopentyl)methyl]-3-oxopiperazine-1-carboximidamide
SMILESCCN/C(=N\CC1CCCC1O)N1CCN(C2CC2)C(=O)C1
InChIInChI=1S/C16H28N4O2/c1-2-17-16(18-10-12-4-3-5-14(12)21)19-8-9-20(13-6-7-13)15(22)11-19/h12-14,21H,2-11H2,1H3,(H,17,18)
InChIKeySLVKPFHSSNPQKC-UHFFFAOYSA-N
MW308.43 g/mol
LogP0.42
Rot. Bonds4

About 4-cyclopropyl-N-ethyl-N'-[(2-hydroxycyclopentyl)methyl]-3-oxopiperazine-1-carboximidamide

4-cyclopropyl-N-ethyl-N'-[(2-hydroxycyclopentyl)methyl]-3-oxopiperazine-1-carboximidamide (PubChem CID 119155547) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 4-cyclopropyl-N-ethyl-N'-[(2-hydroxycyclopentyl)methyl]-3-oxopiperazine-1-carboximidamide.

Molecular Properties

Compound Name4-cyclopropyl-N-ethyl-N'-[(2-hydroxycyclopentyl)methyl]-3-oxopiperazine-1-carboximidamide
PubChem CID119155547
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name4-cyclopropyl-N-ethyl-N'-[(2-hydroxycyclopentyl)methyl]-3-oxopiperazine-1-carboximidamide
SMILESCCN/C(=N\CC1CCCC1O)N1CCN(C2CC2)C(=O)C1
InChIInChI=1S/C16H28N4O2/c1-2-17-16(18-10-12-4-3-5-14(12)21)19-8-9-20(13-6-7-13)15(22)11-19/h12-14,21H,2-11H2,1H3,(H,17,18)
InChIKeySLVKPFHSSNPQKC-UHFFFAOYSA-N
XLogP0.42
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 50.42
H-Bond Donors ≤ 52
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

N'-[(1-acetylpiperidin-4-yl)methyl]-4-cyclopropyl-N-ethyl-3-oxopiperazine-1-carboximidamide
CID 119157402
4-cyclopropyl-N-ethyl-N'-[(1-methylcyclopropyl)methyl]-3-oxopiperazine-1-carboximidamide
CID 119162700
N-ethyl-N'-[(2-hydroxycyclopentyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 111545642
2-[[(4-cyclopropyl-3-oxopiperazin-1-yl)-(ethylamino)methylidene]amino]-N-propan-2-ylacetamide
CID 119158926
4-cyclopropyl-N-ethyl-N'-[(1-hydroxycyclohexyl)methyl]-3-oxopiperazine-1-carboximidamide
CID 119152889
4-cyclopropyl-N-ethyl-3-oxo-N'-(2-pyridin-4-ylethyl)piperazine-1-carboximidamide
CID 119158924
4-cyclopropyl-N-ethyl-3-oxo-N'-(2-pyridin-4-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 119158923
4-cyclopropyl-N-ethyl-3-oxo-N'-(2-thiomorpholin-4-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 119154397
N-ethyl-N'-[(2-hydroxycyclopentyl)methyl]-1,1-dioxo-1λ6-thia-4-azaspiro[5.5]undecane-4-carboximidamide
CID 119155741
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
4-cyclopropyl-N-ethyl-3-oxo-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 119154329

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-ethyl-N'-[(2-hydroxycyclopentyl)methyl]-3-oxopiperazine-1-carboximidamide?
The IUPAC name of 4-cyclopropyl-N-ethyl-N'-[(2-hydroxycyclopentyl)methyl]-3-oxopiperazine-1-carboximidamide (CID 119155547) is 4-cyclopropyl-N-ethyl-N'-[(2-hydroxycyclopentyl)methyl]-3-oxopiperazine-1-carboximidamide.
What is the SMILES notation for 4-cyclopropyl-N-ethyl-N'-[(2-hydroxycyclopentyl)methyl]-3-oxopiperazine-1-carboximidamide?
The canonical SMILES for 4-cyclopropyl-N-ethyl-N'-[(2-hydroxycyclopentyl)methyl]-3-oxopiperazine-1-carboximidamide is CCN/C(=N\CC1CCCC1O)N1CCN(C2CC2)C(=O)C1.
What is the InChIKey of 4-cyclopropyl-N-ethyl-N'-[(2-hydroxycyclopentyl)methyl]-3-oxopiperazine-1-carboximidamide?
The InChIKey is SLVKPFHSSNPQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-2-17-16(18-10-12-4-3-5-14(12)21)19-8-9-20(13-6-7-13)15(22)11-19/h12-14,21H,2-11H2,1H3,(H,17,18).
What are the key properties of 4-cyclopropyl-N-ethyl-N'-[(2-hydroxycyclopentyl)methyl]-3-oxopiperazine-1-carboximidamide?
4-cyclopropyl-N-ethyl-N'-[(2-hydroxycyclopentyl)methyl]-3-oxopiperazine-1-carboximidamide has a molecular weight of 308.43 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-ethyl-N'-[(2-hydroxycyclopentyl)methyl]-3-oxopiperazine-1-carboximidamide is sourced from PubChem (CID 119155547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).