5-(3-fluorophenyl)-4-methyl-6-(3-methylpiperidine-1-carbonyl)morpholin-3-one

C18H23FN2O3 — CID 71689512

IUPAC5-(3-fluorophenyl)-4-methyl-6-(3-methylpiperidine-1-carbonyl)morpholin-3-one
SMILESCC1CCCN(C(=O)C2OCC(=O)N(C)C2c2cccc(F)c2)C1
InChIInChI=1S/C18H23FN2O3/c1-12-5-4-8-21(10-12)18(23)17-16(20(2)15(22)11-24-17)13-6-3-7-14(19)9-13/h3,6-7,9,12,16-17H,4-5,8,10-11H2,1-2H3
InChIKeyINGGGXHTVKVKEX-UHFFFAOYSA-N
MW334.39 g/mol
LogP1.98
Rot. Bonds2

About 5-(3-fluorophenyl)-4-methyl-6-(3-methylpiperidine-1-carbonyl)morpholin-3-one

5-(3-fluorophenyl)-4-methyl-6-(3-methylpiperidine-1-carbonyl)morpholin-3-one (PubChem CID 71689512) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-4-methyl-6-(3-methylpiperidine-1-carbonyl)morpholin-3-one.

Molecular Properties

Compound Name5-(3-fluorophenyl)-4-methyl-6-(3-methylpiperidine-1-carbonyl)morpholin-3-one
PubChem CID71689512
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name5-(3-fluorophenyl)-4-methyl-6-(3-methylpiperidine-1-carbonyl)morpholin-3-one
SMILESCC1CCCN(C(=O)C2OCC(=O)N(C)C2c2cccc(F)c2)C1
InChIInChI=1S/C18H23FN2O3/c1-12-5-4-8-21(10-12)18(23)17-16(20(2)15(22)11-24-17)13-6-3-7-14(19)9-13/h3,6-7,9,12,16-17H,4-5,8,10-11H2,1-2H3
InChIKeyINGGGXHTVKVKEX-UHFFFAOYSA-N
XLogP1.98
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-4-methyl-6-(3-methylpiperidine-1-carbonyl)morpholin-3-one?
The IUPAC name of 5-(3-fluorophenyl)-4-methyl-6-(3-methylpiperidine-1-carbonyl)morpholin-3-one (CID 71689512) is 5-(3-fluorophenyl)-4-methyl-6-(3-methylpiperidine-1-carbonyl)morpholin-3-one.
What is the SMILES notation for 5-(3-fluorophenyl)-4-methyl-6-(3-methylpiperidine-1-carbonyl)morpholin-3-one?
The canonical SMILES for 5-(3-fluorophenyl)-4-methyl-6-(3-methylpiperidine-1-carbonyl)morpholin-3-one is CC1CCCN(C(=O)C2OCC(=O)N(C)C2c2cccc(F)c2)C1.
What is the InChIKey of 5-(3-fluorophenyl)-4-methyl-6-(3-methylpiperidine-1-carbonyl)morpholin-3-one?
The InChIKey is INGGGXHTVKVKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O3/c1-12-5-4-8-21(10-12)18(23)17-16(20(2)15(22)11-24-17)13-6-3-7-14(19)9-13/h3,6-7,9,12,16-17H,4-5,8,10-11H2,1-2H3.
What are the key properties of 5-(3-fluorophenyl)-4-methyl-6-(3-methylpiperidine-1-carbonyl)morpholin-3-one?
5-(3-fluorophenyl)-4-methyl-6-(3-methylpiperidine-1-carbonyl)morpholin-3-one has a molecular weight of 334.39 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-4-methyl-6-(3-methylpiperidine-1-carbonyl)morpholin-3-one is sourced from PubChem (CID 71689512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).