6-(3,5-dimethylpiperidine-1-carbonyl)-5-(2-fluorophenyl)-4-methylmorpholin-3-one

C19H25FN2O3 — CID 71689479

IUPAC6-(3,5-dimethylpiperidine-1-carbonyl)-5-(2-fluorophenyl)-4-methylmorpholin-3-one
SMILESCC1CC(C)CN(C(=O)C2OCC(=O)N(C)C2c2ccccc2F)C1
InChIInChI=1S/C19H25FN2O3/c1-12-8-13(2)10-22(9-12)19(24)18-17(21(3)16(23)11-25-18)14-6-4-5-7-15(14)20/h4-7,12-13,17-18H,8-11H2,1-3H3
InChIKeyTVUBSERXZZKWLQ-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.23
Rot. Bonds2

About 6-(3,5-dimethylpiperidine-1-carbonyl)-5-(2-fluorophenyl)-4-methylmorpholin-3-one

6-(3,5-dimethylpiperidine-1-carbonyl)-5-(2-fluorophenyl)-4-methylmorpholin-3-one (PubChem CID 71689479) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is 6-(3,5-dimethylpiperidine-1-carbonyl)-5-(2-fluorophenyl)-4-methylmorpholin-3-one.

Molecular Properties

Compound Name6-(3,5-dimethylpiperidine-1-carbonyl)-5-(2-fluorophenyl)-4-methylmorpholin-3-one
PubChem CID71689479
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Name6-(3,5-dimethylpiperidine-1-carbonyl)-5-(2-fluorophenyl)-4-methylmorpholin-3-one
SMILESCC1CC(C)CN(C(=O)C2OCC(=O)N(C)C2c2ccccc2F)C1
InChIInChI=1S/C19H25FN2O3/c1-12-8-13(2)10-22(9-12)19(24)18-17(21(3)16(23)11-25-18)14-6-4-5-7-15(14)20/h4-7,12-13,17-18H,8-11H2,1-3H3
InChIKeyTVUBSERXZZKWLQ-UHFFFAOYSA-N
XLogP2.23
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(3,5-dimethylpiperidine-1-carbonyl)-5-(2-fluorophenyl)-4-methylmorpholin-3-one with MolForge

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

Launch Full Analysis

Related Compounds

[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 5192579
US10927128, Example 89
CID 135374653
US10927128, Example 71
CID 135374664
US10927128, Example 69
CID 135374765
US10927128, Example 84
CID 135374773
US10927128, Example 85
CID 135374927
US10927128, Example 70
CID 135374933
(Z)-2-[[(2R,3S)-2-(4-fluorophenyl)-3-methoxy-4-oxoazetidin-1-yl]methyl]-3-phenylprop-2-enenitrile
CID 134140894
US10421750, Example 27
CID 129053741
US10421750, Example 29
CID 129053743
US10421750, Example 30
CID 129053771
US10421750, Example 28
CID 129053831

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpiperidine-1-carbonyl)-5-(2-fluorophenyl)-4-methylmorpholin-3-one?
The IUPAC name of 6-(3,5-dimethylpiperidine-1-carbonyl)-5-(2-fluorophenyl)-4-methylmorpholin-3-one (CID 71689479) is 6-(3,5-dimethylpiperidine-1-carbonyl)-5-(2-fluorophenyl)-4-methylmorpholin-3-one.
What is the SMILES notation for 6-(3,5-dimethylpiperidine-1-carbonyl)-5-(2-fluorophenyl)-4-methylmorpholin-3-one?
The canonical SMILES for 6-(3,5-dimethylpiperidine-1-carbonyl)-5-(2-fluorophenyl)-4-methylmorpholin-3-one is CC1CC(C)CN(C(=O)C2OCC(=O)N(C)C2c2ccccc2F)C1.
What is the InChIKey of 6-(3,5-dimethylpiperidine-1-carbonyl)-5-(2-fluorophenyl)-4-methylmorpholin-3-one?
The InChIKey is TVUBSERXZZKWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3/c1-12-8-13(2)10-22(9-12)19(24)18-17(21(3)16(23)11-25-18)14-6-4-5-7-15(14)20/h4-7,12-13,17-18H,8-11H2,1-3H3.
What are the key properties of 6-(3,5-dimethylpiperidine-1-carbonyl)-5-(2-fluorophenyl)-4-methylmorpholin-3-one?
6-(3,5-dimethylpiperidine-1-carbonyl)-5-(2-fluorophenyl)-4-methylmorpholin-3-one has a molecular weight of 348.42 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpiperidine-1-carbonyl)-5-(2-fluorophenyl)-4-methylmorpholin-3-one is sourced from PubChem (CID 71689479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).