2-(1-methylpiperidin-4-ylidene)-1-morpholin-4-ylethanone

C12H20N2O2 — CID 20756956

IUPAC2-(1-methylpiperidin-4-ylidene)-1-morpholin-4-ylethanone
SMILESCN1CCC(=CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C12H20N2O2/c1-13-4-2-11(3-5-13)10-12(15)14-6-8-16-9-7-14/h10H,2-9H2,1H3
InChIKeyITSMFSAGDWBPSP-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.50
Rot. Bonds1

About 2-(1-methylpiperidin-4-ylidene)-1-morpholin-4-ylethanone

2-(1-methylpiperidin-4-ylidene)-1-morpholin-4-ylethanone (PubChem CID 20756956) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-ylidene)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-ylidene)-1-morpholin-4-ylethanone
PubChem CID20756956
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-(1-methylpiperidin-4-ylidene)-1-morpholin-4-ylethanone
SMILESCN1CCC(=CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C12H20N2O2/c1-13-4-2-11(3-5-13)10-12(15)14-6-8-16-9-7-14/h10H,2-9H2,1H3
InChIKeyITSMFSAGDWBPSP-UHFFFAOYSA-N
XLogP0.50
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(1-methylpiperidin-4-ylidene)-1-morpholin-4-ylethanone 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 2-(1-methylpiperidin-4-ylidene)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(1-methylpiperidin-4-ylidene)-1-morpholin-4-ylethanone (CID 20756956) is 2-(1-methylpiperidin-4-ylidene)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(1-methylpiperidin-4-ylidene)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(1-methylpiperidin-4-ylidene)-1-morpholin-4-ylethanone is CN1CCC(=CC(=O)N2CCOCC2)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-ylidene)-1-morpholin-4-ylethanone?
The InChIKey is ITSMFSAGDWBPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-13-4-2-11(3-5-13)10-12(15)14-6-8-16-9-7-14/h10H,2-9H2,1H3.
What are the key properties of 2-(1-methylpiperidin-4-ylidene)-1-morpholin-4-ylethanone?
2-(1-methylpiperidin-4-ylidene)-1-morpholin-4-ylethanone has a molecular weight of 224.30 g/mol, XLogP of 0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-ylidene)-1-morpholin-4-ylethanone is sourced from PubChem (CID 20756956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).