5-(2-iminopiperidin-1-yl)piperidin-2-one

C10H17N3O — CID 63661411

IUPAC5-(2-iminopiperidin-1-yl)piperidin-2-one
SMILES[H]/N=C1\CCCCN1C1CCC(=O)NC1
InChIInChI=1S/C10H17N3O/c11-9-3-1-2-6-13(9)8-4-5-10(14)12-7-8/h8,11H,1-7H2,(H,12,14)/b11-9+
InChIKeyVHVZDRVQJFXKMM-PKNBQFBNSA-N
MW195.27 g/mol
LogP0.73
Rot. Bonds1

About 5-(2-iminopiperidin-1-yl)piperidin-2-one

5-(2-iminopiperidin-1-yl)piperidin-2-one (PubChem CID 63661411) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-(2-iminopiperidin-1-yl)piperidin-2-one.

Molecular Properties

Compound Name5-(2-iminopiperidin-1-yl)piperidin-2-one
PubChem CID63661411
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name5-(2-iminopiperidin-1-yl)piperidin-2-one
SMILES[H]/N=C1\CCCCN1C1CCC(=O)NC1
InChIInChI=1S/C10H17N3O/c11-9-3-1-2-6-13(9)8-4-5-10(14)12-7-8/h8,11H,1-7H2,(H,12,14)/b11-9+
InChIKeyVHVZDRVQJFXKMM-PKNBQFBNSA-N
XLogP0.73
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-iminopiperidin-1-yl)piperidin-2-one?
The IUPAC name of 5-(2-iminopiperidin-1-yl)piperidin-2-one (CID 63661411) is 5-(2-iminopiperidin-1-yl)piperidin-2-one.
What is the SMILES notation for 5-(2-iminopiperidin-1-yl)piperidin-2-one?
The canonical SMILES for 5-(2-iminopiperidin-1-yl)piperidin-2-one is [H]/N=C1\CCCCN1C1CCC(=O)NC1.
What is the InChIKey of 5-(2-iminopiperidin-1-yl)piperidin-2-one?
The InChIKey is VHVZDRVQJFXKMM-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H17N3O/c11-9-3-1-2-6-13(9)8-4-5-10(14)12-7-8/h8,11H,1-7H2,(H,12,14)/b11-9+.
What are the key properties of 5-(2-iminopiperidin-1-yl)piperidin-2-one?
5-(2-iminopiperidin-1-yl)piperidin-2-one has a molecular weight of 195.27 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-iminopiperidin-1-yl)piperidin-2-one is sourced from PubChem (CID 63661411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).