1-morpholin-4-yl-3-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-one

C12H20N2O2 — CID 117125684

IUPAC1-morpholin-4-yl-3-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-one
SMILESO=C(CCC1=CCNCC1)N1CCOCC1
InChIInChI=1S/C12H20N2O2/c15-12(14-7-9-16-10-8-14)2-1-11-3-5-13-6-4-11/h3,13H,1-2,4-10H2
InChIKeyCJVRURWELCGVIC-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.55
Rot. Bonds3

About 1-morpholin-4-yl-3-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-one

1-morpholin-4-yl-3-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-one (PubChem CID 117125684) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-3-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-one
PubChem CID117125684
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-morpholin-4-yl-3-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-one
SMILESO=C(CCC1=CCNCC1)N1CCOCC1
InChIInChI=1S/C12H20N2O2/c15-12(14-7-9-16-10-8-14)2-1-11-3-5-13-6-4-11/h3,13H,1-2,4-10H2
InChIKeyCJVRURWELCGVIC-UHFFFAOYSA-N
XLogP0.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-morpholin-4-yl-3-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-one 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 1-morpholin-4-yl-3-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-one?
The IUPAC name of 1-morpholin-4-yl-3-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-one (CID 117125684) is 1-morpholin-4-yl-3-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-3-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-3-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-one is O=C(CCC1=CCNCC1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-one?
The InChIKey is CJVRURWELCGVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c15-12(14-7-9-16-10-8-14)2-1-11-3-5-13-6-4-11/h3,13H,1-2,4-10H2.
What are the key properties of 1-morpholin-4-yl-3-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-one?
1-morpholin-4-yl-3-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-one has a molecular weight of 224.30 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-one is sourced from PubChem (CID 117125684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).