6-[(2R)-2-[(3-fluorophenyl)methyl]morpholine-4-carbonyl]-2,2-dimethyl-3H-pyran-4-one

C19H22FNO4 — CID 26321315

IUPAC6-[(2R)-2-[(3-fluorophenyl)methyl]morpholine-4-carbonyl]-2,2-dimethyl-3H-pyran-4-one
SMILESCC1(C)CC(=O)C=C(C(=O)N2CCO[C@H](Cc3cccc(F)c3)C2)O1
InChIInChI=1S/C19H22FNO4/c1-19(2)11-15(22)10-17(25-19)18(23)21-6-7-24-16(12-21)9-13-4-3-5-14(20)8-13/h3-5,8,10,16H,6-7,9,11-12H2,1-2H3/t16-/m1/s1
InChIKeyQFVNOIROYFKEDR-MRXNPFEDSA-N
MW347.39 g/mol
LogP2.25
Rot. Bonds3

About 6-[(2R)-2-[(3-fluorophenyl)methyl]morpholine-4-carbonyl]-2,2-dimethyl-3H-pyran-4-one

6-[(2R)-2-[(3-fluorophenyl)methyl]morpholine-4-carbonyl]-2,2-dimethyl-3H-pyran-4-one (PubChem CID 26321315) has the molecular formula C19H22FNO4 and a molecular weight of 347.39 g/mol. Its IUPAC name is 6-[(2R)-2-[(3-fluorophenyl)methyl]morpholine-4-carbonyl]-2,2-dimethyl-3H-pyran-4-one.

Molecular Properties

Compound Name6-[(2R)-2-[(3-fluorophenyl)methyl]morpholine-4-carbonyl]-2,2-dimethyl-3H-pyran-4-one
PubChem CID26321315
Molecular FormulaC19H22FNO4
Molecular Weight347.39 g/mol
Exact Mass347.15
IUPAC Name6-[(2R)-2-[(3-fluorophenyl)methyl]morpholine-4-carbonyl]-2,2-dimethyl-3H-pyran-4-one
SMILESCC1(C)CC(=O)C=C(C(=O)N2CCO[C@H](Cc3cccc(F)c3)C2)O1
InChIInChI=1S/C19H22FNO4/c1-19(2)11-15(22)10-17(25-19)18(23)21-6-7-24-16(12-21)9-13-4-3-5-14(20)8-13/h3-5,8,10,16H,6-7,9,11-12H2,1-2H3/t16-/m1/s1
InChIKeyQFVNOIROYFKEDR-MRXNPFEDSA-N
XLogP2.25
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Morpholine, 4-(5-(4,5-dimethoxy-3,6-dioxo-2-methyl-1,4-cyclohexadien-1-yl)-1-oxo-5-phenylpentyl)-
CID 3086755
4-[(3-Methyl-5,6-dihydro-1,4-dioxin-2-yl)carbonyl]-2-[3-(trifluoromethyl)benzyl]morpholine
CID 45190269
6-{[3-(2,5-difluorobenzoyl)-1-piperidinyl]carbonyl}-2,2-dimethyl-2,3-dihydro-4H-pyran-4-one
CID 45199921
5-(2-oxo-2-phenylethoxy)-2-(piperidin-1-ylmethyl)-4H-pyran-4-one
CID 51054662
4-[(3-Methyl-5,6-dihydro-1,4-dioxin-2-yl)carbonyl]-2-(3-phenylpropyl)morpholine
CID 45233807
5-((4-fluorobenzyl)oxy)-2-(4-methylpiperidine-1-carbonyl)-4H-pyran-4-one
CID 42227168
1-(5-((4-fluorobenzyl)oxy)-4-oxo-4H-pyran-2-carbonyl)piperidine-4-carboxamide
CID 42227297
ethyl 3-(2,4-difluorobenzyl)-1-[(2,2-dimethyl-4-oxo-3,4-dihydro-2H-pyran-6-yl)carbonyl]-3-piperidinecarboxylate
CID 45169279
2-(3-Fluorobenzyl)-4-(4-pentenoyl)morpholine
CID 45200936
5-[(4-Fluorophenyl)methoxy]-2-{[4-(undec-10-enoyl)piperazin-1-YL]methyl}-4H-pyran-4-one
CID 46083990
2-{[4-(2-Ethylbutanoyl)piperazin-1-YL]methyl}-5-[(4-fluorophenyl)methoxy]-4H-pyran-4-one
CID 46083992
5-[(3-Fluorophenyl)methoxy]-2-({4-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]piperazin-1-YL}methyl)-4H-pyran-4-one
CID 46103603

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-[(3-fluorophenyl)methyl]morpholine-4-carbonyl]-2,2-dimethyl-3H-pyran-4-one?
The IUPAC name of 6-[(2R)-2-[(3-fluorophenyl)methyl]morpholine-4-carbonyl]-2,2-dimethyl-3H-pyran-4-one (CID 26321315) is 6-[(2R)-2-[(3-fluorophenyl)methyl]morpholine-4-carbonyl]-2,2-dimethyl-3H-pyran-4-one.
What is the SMILES notation for 6-[(2R)-2-[(3-fluorophenyl)methyl]morpholine-4-carbonyl]-2,2-dimethyl-3H-pyran-4-one?
The canonical SMILES for 6-[(2R)-2-[(3-fluorophenyl)methyl]morpholine-4-carbonyl]-2,2-dimethyl-3H-pyran-4-one is CC1(C)CC(=O)C=C(C(=O)N2CCO[C@H](Cc3cccc(F)c3)C2)O1.
What is the InChIKey of 6-[(2R)-2-[(3-fluorophenyl)methyl]morpholine-4-carbonyl]-2,2-dimethyl-3H-pyran-4-one?
The InChIKey is QFVNOIROYFKEDR-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22FNO4/c1-19(2)11-15(22)10-17(25-19)18(23)21-6-7-24-16(12-21)9-13-4-3-5-14(20)8-13/h3-5,8,10,16H,6-7,9,11-12H2,1-2H3/t16-/m1/s1.
What are the key properties of 6-[(2R)-2-[(3-fluorophenyl)methyl]morpholine-4-carbonyl]-2,2-dimethyl-3H-pyran-4-one?
6-[(2R)-2-[(3-fluorophenyl)methyl]morpholine-4-carbonyl]-2,2-dimethyl-3H-pyran-4-one has a molecular weight of 347.39 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-[(3-fluorophenyl)methyl]morpholine-4-carbonyl]-2,2-dimethyl-3H-pyran-4-one is sourced from PubChem (CID 26321315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).