N'-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboximidamide

C12H22N4O — CID 111040316

IUPACN'-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboximidamide
SMILESN/C(=N\CC(=O)N1CCCC1)N1CCCCC1
InChIInChI=1S/C12H22N4O/c13-12(16-8-2-1-3-9-16)14-10-11(17)15-6-4-5-7-15/h1-10H2,(H2,13,14)
InChIKeyIYUHZPLQWOSWGO-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.41
Rot. Bonds2

About N'-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboximidamide

N'-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboximidamide (PubChem CID 111040316) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N'-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboximidamide
PubChem CID111040316
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN'-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboximidamide
SMILESN/C(=N\CC(=O)N1CCCC1)N1CCCCC1
InChIInChI=1S/C12H22N4O/c13-12(16-8-2-1-3-9-16)14-10-11(17)15-6-4-5-7-15/h1-10H2,(H2,13,14)
InChIKeyIYUHZPLQWOSWGO-UHFFFAOYSA-N
XLogP0.41
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.41
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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Related Compounds

N'-(2-oxo-2-pyrrolidin-1-ylethyl)thiomorpholine-4-carboximidamide
CID 111040296
N'-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboximidamide;hydroiodide
CID 111040241
4-(4-fluorophenyl)-N'-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboximidamide
CID 111040310
N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperidine-1-carboximidamide;hydroiodide
CID 111098202
2-methyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboximidamide;hydroiodide
CID 120661161
2-[[amino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide
CID 111034623
1,1,3,3-tetramethyl-2-(2-oxo-2-piperidin-1-ylethyl)guanidine
CID 111058324
1-cyclohexyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111040239
1-cyclohexyl-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111058289
2-[[amino(azepan-1-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide
CID 119164080
N'-[6-[[amino(azepan-1-yl)methylidene]amino]hexyl]azepane-1-carboximidamide
CID 110062207
N'-propylazocane-1-carboximidamide
CID 62361040

Frequently Asked Questions

What is the IUPAC name of N'-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboximidamide?
The IUPAC name of N'-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboximidamide (CID 111040316) is N'-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboximidamide.
What is the SMILES notation for N'-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboximidamide?
The canonical SMILES for N'-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboximidamide is N/C(=N\CC(=O)N1CCCC1)N1CCCCC1.
What is the InChIKey of N'-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboximidamide?
The InChIKey is IYUHZPLQWOSWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c13-12(16-8-2-1-3-9-16)14-10-11(17)15-6-4-5-7-15/h1-10H2,(H2,13,14).
What are the key properties of N'-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboximidamide?
N'-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboximidamide has a molecular weight of 238.33 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 111040316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).