2-(2-methylprop-2-enyl)-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine

C13H24N4O — CID 111054695

IUPAC2-(2-methylprop-2-enyl)-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine
SMILESC=C(C)C/N=C(\N)NCCC(=O)N1CCCCC1
InChIInChI=1S/C13H24N4O/c1-11(2)10-16-13(14)15-7-6-12(18)17-8-4-3-5-9-17/h1,3-10H2,2H3,(H3,14,15,16)
InChIKeyKLIXOSOBCDXVJW-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.87
Rot. Bonds5

About 2-(2-methylprop-2-enyl)-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine

2-(2-methylprop-2-enyl)-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine (PubChem CID 111054695) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(2-methylprop-2-enyl)-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine.

Molecular Properties

Compound Name2-(2-methylprop-2-enyl)-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine
PubChem CID111054695
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-(2-methylprop-2-enyl)-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine
SMILESC=C(C)C/N=C(\N)NCCC(=O)N1CCCCC1
InChIInChI=1S/C13H24N4O/c1-11(2)10-16-13(14)15-7-6-12(18)17-8-4-3-5-9-17/h1,3-10H2,2H3,(H3,14,15,16)
InChIKeyKLIXOSOBCDXVJW-UHFFFAOYSA-N
XLogP0.87
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.87
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 2-(2-methylprop-2-enyl)-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine?
The IUPAC name of 2-(2-methylprop-2-enyl)-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine (CID 111054695) is 2-(2-methylprop-2-enyl)-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine.
What is the SMILES notation for 2-(2-methylprop-2-enyl)-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine?
The canonical SMILES for 2-(2-methylprop-2-enyl)-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine is C=C(C)C/N=C(\N)NCCC(=O)N1CCCCC1.
What is the InChIKey of 2-(2-methylprop-2-enyl)-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine?
The InChIKey is KLIXOSOBCDXVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-11(2)10-16-13(14)15-7-6-12(18)17-8-4-3-5-9-17/h1,3-10H2,2H3,(H3,14,15,16).
What are the key properties of 2-(2-methylprop-2-enyl)-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine?
2-(2-methylprop-2-enyl)-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine has a molecular weight of 252.36 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enyl)-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine is sourced from PubChem (CID 111054695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).