N'-(2-oxo-2-piperidin-1-ylethoxy)benzenecarboximidamide

C14H19N3O2 — CID 140576107

IUPACN'-(2-oxo-2-piperidin-1-ylethoxy)benzenecarboximidamide
SMILESN/C(=N\OCC(=O)N1CCCCC1)c1ccccc1
InChIInChI=1S/C14H19N3O2/c15-14(12-7-3-1-4-8-12)16-19-11-13(18)17-9-5-2-6-10-17/h1,3-4,7-8H,2,5-6,9-11H2,(H2,15,16)
InChIKeyAEEBEBNVSVQDNJ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.34
Rot. Bonds4

About N'-(2-oxo-2-piperidin-1-ylethoxy)benzenecarboximidamide

N'-(2-oxo-2-piperidin-1-ylethoxy)benzenecarboximidamide (PubChem CID 140576107) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N'-(2-oxo-2-piperidin-1-ylethoxy)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(2-oxo-2-piperidin-1-ylethoxy)benzenecarboximidamide
PubChem CID140576107
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN'-(2-oxo-2-piperidin-1-ylethoxy)benzenecarboximidamide
SMILESN/C(=N\OCC(=O)N1CCCCC1)c1ccccc1
InChIInChI=1S/C14H19N3O2/c15-14(12-7-3-1-4-8-12)16-19-11-13(18)17-9-5-2-6-10-17/h1,3-4,7-8H,2,5-6,9-11H2,(H2,15,16)
InChIKeyAEEBEBNVSVQDNJ-UHFFFAOYSA-N
XLogP1.34
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-oxo-2-piperidin-1-ylethoxy)benzenecarboximidamide?
The IUPAC name of N'-(2-oxo-2-piperidin-1-ylethoxy)benzenecarboximidamide (CID 140576107) is N'-(2-oxo-2-piperidin-1-ylethoxy)benzenecarboximidamide.
What is the SMILES notation for N'-(2-oxo-2-piperidin-1-ylethoxy)benzenecarboximidamide?
The canonical SMILES for N'-(2-oxo-2-piperidin-1-ylethoxy)benzenecarboximidamide is N/C(=N\OCC(=O)N1CCCCC1)c1ccccc1.
What is the InChIKey of N'-(2-oxo-2-piperidin-1-ylethoxy)benzenecarboximidamide?
The InChIKey is AEEBEBNVSVQDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-14(12-7-3-1-4-8-12)16-19-11-13(18)17-9-5-2-6-10-17/h1,3-4,7-8H,2,5-6,9-11H2,(H2,15,16).
What are the key properties of N'-(2-oxo-2-piperidin-1-ylethoxy)benzenecarboximidamide?
N'-(2-oxo-2-piperidin-1-ylethoxy)benzenecarboximidamide has a molecular weight of 261.32 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-oxo-2-piperidin-1-ylethoxy)benzenecarboximidamide is sourced from PubChem (CID 140576107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).