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

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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).