N'-[(1-methyl-2-oxopiperidin-4-yl)methyl]azetidine-1-carboximidamide

C11H20N4O — CID 122125923

IUPACN'-[(1-methyl-2-oxopiperidin-4-yl)methyl]azetidine-1-carboximidamide
SMILESCN1CCC(C/N=C(\N)N2CCC2)CC1=O
InChIInChI=1S/C11H20N4O/c1-14-6-3-9(7-10(14)16)8-13-11(12)15-4-2-5-15/h9H,2-8H2,1H3,(H2,12,13)
InChIKeyTXUKZVFPHRBDND-UHFFFAOYSA-N
MW224.31 g/mol
LogP-0.12
Rot. Bonds2

About N'-[(1-methyl-2-oxopiperidin-4-yl)methyl]azetidine-1-carboximidamide

N'-[(1-methyl-2-oxopiperidin-4-yl)methyl]azetidine-1-carboximidamide (PubChem CID 122125923) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N'-[(1-methyl-2-oxopiperidin-4-yl)methyl]azetidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[(1-methyl-2-oxopiperidin-4-yl)methyl]azetidine-1-carboximidamide
PubChem CID122125923
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN'-[(1-methyl-2-oxopiperidin-4-yl)methyl]azetidine-1-carboximidamide
SMILESCN1CCC(C/N=C(\N)N2CCC2)CC1=O
InChIInChI=1S/C11H20N4O/c1-14-6-3-9(7-10(14)16)8-13-11(12)15-4-2-5-15/h9H,2-8H2,1H3,(H2,12,13)
InChIKeyTXUKZVFPHRBDND-UHFFFAOYSA-N
XLogP-0.12
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'-[(1-methyl-2-oxopiperidin-4-yl)methyl]azetidine-1-carboximidamide?
The IUPAC name of N'-[(1-methyl-2-oxopiperidin-4-yl)methyl]azetidine-1-carboximidamide (CID 122125923) is N'-[(1-methyl-2-oxopiperidin-4-yl)methyl]azetidine-1-carboximidamide.
What is the SMILES notation for N'-[(1-methyl-2-oxopiperidin-4-yl)methyl]azetidine-1-carboximidamide?
The canonical SMILES for N'-[(1-methyl-2-oxopiperidin-4-yl)methyl]azetidine-1-carboximidamide is CN1CCC(C/N=C(\N)N2CCC2)CC1=O.
What is the InChIKey of N'-[(1-methyl-2-oxopiperidin-4-yl)methyl]azetidine-1-carboximidamide?
The InChIKey is TXUKZVFPHRBDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-14-6-3-9(7-10(14)16)8-13-11(12)15-4-2-5-15/h9H,2-8H2,1H3,(H2,12,13).
What are the key properties of N'-[(1-methyl-2-oxopiperidin-4-yl)methyl]azetidine-1-carboximidamide?
N'-[(1-methyl-2-oxopiperidin-4-yl)methyl]azetidine-1-carboximidamide has a molecular weight of 224.31 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-methyl-2-oxopiperidin-4-yl)methyl]azetidine-1-carboximidamide is sourced from PubChem (CID 122125923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).