N-methyl-N-[(1R,3E)-3-(2-oxo-2-piperidin-1-ylethoxy)iminocyclohexyl]formamide

C15H25N3O3 — CID 144814886

IUPACN-methyl-N-[(1R,3E)-3-(2-oxo-2-piperidin-1-ylethoxy)iminocyclohexyl]formamide
SMILESCN(C=O)[C@@H]1CCC/C(=N\OCC(=O)N2CCCCC2)C1
InChIInChI=1S/C15H25N3O3/c1-17(12-19)14-7-5-6-13(10-14)16-21-11-15(20)18-8-3-2-4-9-18/h12,14H,2-11H2,1H3/b16-13+/t14-/m1/s1
InChIKeyMXRQXAJVIAUYAF-LBFFYKKLSA-N
MW295.38 g/mol
LogP1.40
Rot. Bonds5

About N-methyl-N-[(1R,3E)-3-(2-oxo-2-piperidin-1-ylethoxy)iminocyclohexyl]formamide

N-methyl-N-[(1R,3E)-3-(2-oxo-2-piperidin-1-ylethoxy)iminocyclohexyl]formamide (PubChem CID 144814886) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-methyl-N-[(1R,3E)-3-(2-oxo-2-piperidin-1-ylethoxy)iminocyclohexyl]formamide.

Molecular Properties

Compound NameN-methyl-N-[(1R,3E)-3-(2-oxo-2-piperidin-1-ylethoxy)iminocyclohexyl]formamide
PubChem CID144814886
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC NameN-methyl-N-[(1R,3E)-3-(2-oxo-2-piperidin-1-ylethoxy)iminocyclohexyl]formamide
SMILESCN(C=O)[C@@H]1CCC/C(=N\OCC(=O)N2CCCCC2)C1
InChIInChI=1S/C15H25N3O3/c1-17(12-19)14-7-5-6-13(10-14)16-21-11-15(20)18-8-3-2-4-9-18/h12,14H,2-11H2,1H3/b16-13+/t14-/m1/s1
InChIKeyMXRQXAJVIAUYAF-LBFFYKKLSA-N
XLogP1.40
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-methyl-N-[(1R,3E)-3-(2-oxo-2-piperidin-1-ylethoxy)iminocyclohexyl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1R,3E)-3-(2-oxo-2-piperidin-1-ylethoxy)iminocyclohexyl]formamide?
The IUPAC name of N-methyl-N-[(1R,3E)-3-(2-oxo-2-piperidin-1-ylethoxy)iminocyclohexyl]formamide (CID 144814886) is N-methyl-N-[(1R,3E)-3-(2-oxo-2-piperidin-1-ylethoxy)iminocyclohexyl]formamide.
What is the SMILES notation for N-methyl-N-[(1R,3E)-3-(2-oxo-2-piperidin-1-ylethoxy)iminocyclohexyl]formamide?
The canonical SMILES for N-methyl-N-[(1R,3E)-3-(2-oxo-2-piperidin-1-ylethoxy)iminocyclohexyl]formamide is CN(C=O)[C@@H]1CCC/C(=N\OCC(=O)N2CCCCC2)C1.
What is the InChIKey of N-methyl-N-[(1R,3E)-3-(2-oxo-2-piperidin-1-ylethoxy)iminocyclohexyl]formamide?
The InChIKey is MXRQXAJVIAUYAF-LBFFYKKLSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-17(12-19)14-7-5-6-13(10-14)16-21-11-15(20)18-8-3-2-4-9-18/h12,14H,2-11H2,1H3/b16-13+/t14-/m1/s1.
What are the key properties of N-methyl-N-[(1R,3E)-3-(2-oxo-2-piperidin-1-ylethoxy)iminocyclohexyl]formamide?
N-methyl-N-[(1R,3E)-3-(2-oxo-2-piperidin-1-ylethoxy)iminocyclohexyl]formamide has a molecular weight of 295.38 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1R,3E)-3-(2-oxo-2-piperidin-1-ylethoxy)iminocyclohexyl]formamide is sourced from PubChem (CID 144814886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).