1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine

C12H20N4O2 — CID 111821915

IUPAC1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)C/N=C(\N)NCCN1C(=O)CCCC1=O
InChIInChI=1S/C12H20N4O2/c1-9(2)8-15-12(13)14-6-7-16-10(17)4-3-5-11(16)18/h1,3-8H2,2H3,(H3,13,14,15)
InChIKeyQRNNFGWSEJSJPL-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.01
Rot. Bonds5

About 1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine

1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine (PubChem CID 111821915) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine.

Molecular Properties

Compound Name1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine
PubChem CID111821915
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)C/N=C(\N)NCCN1C(=O)CCCC1=O
InChIInChI=1S/C12H20N4O2/c1-9(2)8-15-12(13)14-6-7-16-10(17)4-3-5-11(16)18/h1,3-8H2,2H3,(H3,13,14,15)
InChIKeyQRNNFGWSEJSJPL-UHFFFAOYSA-N
XLogP0.01
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.01
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[2-(2,6-Dioxopiperidin-1-yl)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine
CID 109483551
2-[2-(2,6-Dioxopiperidin-1-yl)ethyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide
CID 109496763
2-[2-(2,6-Dioxopiperidin-1-yl)ethyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine
CID 109496764
3-[2-(2,6-Dioxopiperidin-1-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109497277
3-[2-(2,6-Dioxopiperidin-1-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine
CID 109497278
2-[1-[N'-[2-(dimethylamino)-2-oxoethyl]-N-(2-methylprop-2-enyl)carbamimidoyl]piperidin-4-yl]-N-methylacetamide;hydroiodide
CID 110044092
2-[1-[N'-[2-(dimethylamino)-2-oxoethyl]-N-(2-methylprop-2-enyl)carbamimidoyl]piperidin-4-yl]-N-methylacetamide
CID 110044093
2-(2-Methylprop-2-enyl)-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine
CID 111054695
1-(2-Methylprop-2-enyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111058349
1-(2-Methylprop-2-enyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine
CID 111058350
1-[6-[4-(3-Methylbutanoyl)piperazin-1-yl]-6-oxohexyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111098606
1-[6-[4-(3-Methylbutanoyl)piperazin-1-yl]-6-oxohexyl]-2-(2-methylprop-2-enyl)guanidine
CID 111098607

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine?
The IUPAC name of 1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine (CID 111821915) is 1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine.
What is the SMILES notation for 1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine?
The canonical SMILES for 1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine is C=C(C)C/N=C(\N)NCCN1C(=O)CCCC1=O.
What is the InChIKey of 1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine?
The InChIKey is QRNNFGWSEJSJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-9(2)8-15-12(13)14-6-7-16-10(17)4-3-5-11(16)18/h1,3-8H2,2H3,(H3,13,14,15).
What are the key properties of 1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine?
1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine has a molecular weight of 252.32 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine is sourced from PubChem (CID 111821915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).