N'-methyl-2-oxo-2-piperidin-4-ylethanimidamide

C8H15N3O — CID 145256824

IUPACN'-methyl-2-oxo-2-piperidin-4-ylethanimidamide
SMILESC/N=C(\N)C(=O)C1CCNCC1
InChIInChI=1S/C8H15N3O/c1-10-8(9)7(12)6-2-4-11-5-3-6/h6,11H,2-5H2,1H3,(H2,9,10)
InChIKeyFBAZQUJPYPFXNM-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.46
Rot. Bonds2

About N'-methyl-2-oxo-2-piperidin-4-ylethanimidamide

N'-methyl-2-oxo-2-piperidin-4-ylethanimidamide (PubChem CID 145256824) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is N'-methyl-2-oxo-2-piperidin-4-ylethanimidamide.

Molecular Properties

Compound NameN'-methyl-2-oxo-2-piperidin-4-ylethanimidamide
PubChem CID145256824
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC NameN'-methyl-2-oxo-2-piperidin-4-ylethanimidamide
SMILESC/N=C(\N)C(=O)C1CCNCC1
InChIInChI=1S/C8H15N3O/c1-10-8(9)7(12)6-2-4-11-5-3-6/h6,11H,2-5H2,1H3,(H2,9,10)
InChIKeyFBAZQUJPYPFXNM-UHFFFAOYSA-N
XLogP-0.46
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.46
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-2-oxo-2-piperidin-4-ylethanimidamide?
The IUPAC name of N'-methyl-2-oxo-2-piperidin-4-ylethanimidamide (CID 145256824) is N'-methyl-2-oxo-2-piperidin-4-ylethanimidamide.
What is the SMILES notation for N'-methyl-2-oxo-2-piperidin-4-ylethanimidamide?
The canonical SMILES for N'-methyl-2-oxo-2-piperidin-4-ylethanimidamide is C/N=C(\N)C(=O)C1CCNCC1.
What is the InChIKey of N'-methyl-2-oxo-2-piperidin-4-ylethanimidamide?
The InChIKey is FBAZQUJPYPFXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-10-8(9)7(12)6-2-4-11-5-3-6/h6,11H,2-5H2,1H3,(H2,9,10).
What are the key properties of N'-methyl-2-oxo-2-piperidin-4-ylethanimidamide?
N'-methyl-2-oxo-2-piperidin-4-ylethanimidamide has a molecular weight of 169.23 g/mol, XLogP of -0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2-oxo-2-piperidin-4-ylethanimidamide is sourced from PubChem (CID 145256824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).