1-[2-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one

C17H21FN2O3 — CID 45215299

IUPAC1-[2-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(=O)N1CCOC(Cc2ccc(F)cc2)C1
InChIInChI=1S/C17H21FN2O3/c18-14-5-3-13(4-6-14)10-15-11-20(8-9-23-15)17(22)12-19-7-1-2-16(19)21/h3-6,15H,1-2,7-12H2
InChIKeyCCXCWZDACZIXAM-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.22
Rot. Bonds4

About 1-[2-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one

1-[2-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one (PubChem CID 45215299) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is 1-[2-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
PubChem CID45215299
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name1-[2-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(=O)N1CCOC(Cc2ccc(F)cc2)C1
InChIInChI=1S/C17H21FN2O3/c18-14-5-3-13(4-6-14)10-15-11-20(8-9-23-15)17(22)12-19-7-1-2-16(19)21/h3-6,15H,1-2,7-12H2
InChIKeyCCXCWZDACZIXAM-UHFFFAOYSA-N
XLogP1.22
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone
CID 102604185
1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one
CID 45174765
[(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(1-methylcyclopropyl)methanone
CID 95126263
1-[2-[2-(4-chlorophenyl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
CID 56817626
1-[3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]azepan-2-one
CID 95222110
1-[2-[(3S,4R)-3-amino-4-(4-fluorophenyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
CID 125144801
4-fluoro-N-[[(3S)-1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-3-yl]methyl]benzamide
CID 42210535
3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]propan-1-one
CID 45209998
1-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 106671974
(3,5-dimethylfuran-2-yl)-[(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone
CID 42115591
(3,5-dimethylfuran-2-yl)-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone
CID 45169829
1-[2-oxo-2-[(2S)-2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]ethyl]piperidin-2-one
CID 97268610

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one (CID 45215299) is 1-[2-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one is O=C1CCCN1CC(=O)N1CCOC(Cc2ccc(F)cc2)C1.
What is the InChIKey of 1-[2-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one?
The InChIKey is CCXCWZDACZIXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3/c18-14-5-3-13(4-6-14)10-15-11-20(8-9-23-15)17(22)12-19-7-1-2-16(19)21/h3-6,15H,1-2,7-12H2.
What are the key properties of 1-[2-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one?
1-[2-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one has a molecular weight of 320.36 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 45215299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).