1-(2-methylprop-2-enyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine

C12H22N4O — CID 111058350

IUPAC1-(2-methylprop-2-enyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine
SMILESC=C(C)CN/C(N)=N/CC(=O)N1CCCCC1
InChIInChI=1S/C12H22N4O/c1-10(2)8-14-12(13)15-9-11(17)16-6-4-3-5-7-16/h1,3-9H2,2H3,(H3,13,14,15)
InChIKeyWGGYYEBQCURFGL-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.48
Rot. Bonds4

About 1-(2-methylprop-2-enyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine

1-(2-methylprop-2-enyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine (PubChem CID 111058350) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine
PubChem CID111058350
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-(2-methylprop-2-enyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine
SMILESC=C(C)CN/C(N)=N/CC(=O)N1CCCCC1
InChIInChI=1S/C12H22N4O/c1-10(2)8-14-12(13)15-9-11(17)16-6-4-3-5-7-16/h1,3-9H2,2H3,(H3,13,14,15)
InChIKeyWGGYYEBQCURFGL-UHFFFAOYSA-N
XLogP0.48
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.48
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine?
The IUPAC name of 1-(2-methylprop-2-enyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine (CID 111058350) is 1-(2-methylprop-2-enyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine.
What is the SMILES notation for 1-(2-methylprop-2-enyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine?
The canonical SMILES for 1-(2-methylprop-2-enyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine is C=C(C)CN/C(N)=N/CC(=O)N1CCCCC1.
What is the InChIKey of 1-(2-methylprop-2-enyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine?
The InChIKey is WGGYYEBQCURFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-10(2)8-14-12(13)15-9-11(17)16-6-4-3-5-7-16/h1,3-9H2,2H3,(H3,13,14,15).
What are the key properties of 1-(2-methylprop-2-enyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine?
1-(2-methylprop-2-enyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine has a molecular weight of 238.33 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine is sourced from PubChem (CID 111058350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).