N'-cyclopentyl-2-methyl-3-oxopiperazine-1-carboximidamide

C11H20N4O — CID 63606772

IUPACN'-cyclopentyl-2-methyl-3-oxopiperazine-1-carboximidamide
SMILESCC1C(=O)NCCN1/C(N)=N/C1CCCC1
InChIInChI=1S/C11H20N4O/c1-8-10(16)13-6-7-15(8)11(12)14-9-4-2-3-5-9/h8-9H,2-7H2,1H3,(H2,12,14)(H,13,16)
InChIKeyPLIHAQWQFPXJNL-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.06
Rot. Bonds1

About N'-cyclopentyl-2-methyl-3-oxopiperazine-1-carboximidamide

N'-cyclopentyl-2-methyl-3-oxopiperazine-1-carboximidamide (PubChem CID 63606772) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N'-cyclopentyl-2-methyl-3-oxopiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-cyclopentyl-2-methyl-3-oxopiperazine-1-carboximidamide
PubChem CID63606772
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN'-cyclopentyl-2-methyl-3-oxopiperazine-1-carboximidamide
SMILESCC1C(=O)NCCN1/C(N)=N/C1CCCC1
InChIInChI=1S/C11H20N4O/c1-8-10(16)13-6-7-15(8)11(12)14-9-4-2-3-5-9/h8-9H,2-7H2,1H3,(H2,12,14)(H,13,16)
InChIKeyPLIHAQWQFPXJNL-UHFFFAOYSA-N
XLogP0.06
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.06
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

2-[[(cyclopentylamino)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 109378106
2-[[(cyclopentylamino)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide
CID 109378107
N-cyclopentyl-3-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]propanamide
CID 109378301
N-(3-fluoropropyl)-N'-methyl-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazine-1-carboximidamide
CID 109643061
N-ethyl-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-N'-(5,5,5-trifluoropentyl)piperazine-1-carboximidamide
CID 109643439
N-(2,2-difluoroethyl)-N'-methyl-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazine-1-carboximidamide
CID 109644063
N-ethyl-N'-(3-fluoropropyl)-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazine-1-carboximidamide
CID 109644169
N'-methyl-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-N-(5,5,5-trifluoropentyl)piperazine-1-carboximidamide
CID 109644939
2-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111495845
2-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111495846
N-methyl-2-[[N'-methyl-N-(1-propylpiperidin-4-yl)carbamimidoyl]amino]-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111499938
N-methyl-2-[[N'-methyl-N-(1-propylpiperidin-4-yl)carbamimidoyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 111499939

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-2-methyl-3-oxopiperazine-1-carboximidamide?
The IUPAC name of N'-cyclopentyl-2-methyl-3-oxopiperazine-1-carboximidamide (CID 63606772) is N'-cyclopentyl-2-methyl-3-oxopiperazine-1-carboximidamide.
What is the SMILES notation for N'-cyclopentyl-2-methyl-3-oxopiperazine-1-carboximidamide?
The canonical SMILES for N'-cyclopentyl-2-methyl-3-oxopiperazine-1-carboximidamide is CC1C(=O)NCCN1/C(N)=N/C1CCCC1.
What is the InChIKey of N'-cyclopentyl-2-methyl-3-oxopiperazine-1-carboximidamide?
The InChIKey is PLIHAQWQFPXJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8-10(16)13-6-7-15(8)11(12)14-9-4-2-3-5-9/h8-9H,2-7H2,1H3,(H2,12,14)(H,13,16).
What are the key properties of N'-cyclopentyl-2-methyl-3-oxopiperazine-1-carboximidamide?
N'-cyclopentyl-2-methyl-3-oxopiperazine-1-carboximidamide has a molecular weight of 224.31 g/mol, XLogP of 0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-2-methyl-3-oxopiperazine-1-carboximidamide is sourced from PubChem (CID 63606772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).