(4R)-1-cyclopropyl-4-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one

C18H21FN2O3 — CID 95569973

IUPAC(4R)-1-cyclopropyl-4-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one
SMILESO=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCO[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C18H21FN2O3/c19-14-3-1-12(2-4-14)16-11-20(7-8-24-16)18(23)13-9-17(22)21(10-13)15-5-6-15/h1-4,13,15-16H,5-11H2/t13-,16-/m1/s1
InChIKeyAILMECVNKWSZLO-CZUORRHYSA-N
MW332.38 g/mol
LogP1.74
Rot. Bonds3

About (4R)-1-cyclopropyl-4-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one

(4R)-1-cyclopropyl-4-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one (PubChem CID 95569973) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is (4R)-1-cyclopropyl-4-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-cyclopropyl-4-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one
PubChem CID95569973
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Name(4R)-1-cyclopropyl-4-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one
SMILESO=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCO[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C18H21FN2O3/c19-14-3-1-12(2-4-14)16-11-20(7-8-24-16)18(23)13-9-17(22)21(10-13)15-5-6-15/h1-4,13,15-16H,5-11H2/t13-,16-/m1/s1
InChIKeyAILMECVNKWSZLO-CZUORRHYSA-N
XLogP1.74
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one
CID 94098725
cyclopropyl-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]methanone
CID 134044230
(5S)-5-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-2-one
CID 94159203
[(3R)-1,1-dioxothiolan-3-yl]-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 94005516
[2-(4-fluorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone
CID 60963365
1-(5-chloro-2-methoxyphenyl)-4-[2-(4-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one
CID 55563584
1-[(3S)-3-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone
CID 94037830
1-cyclopropyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 60656167
[2-(4-fluorophenyl)morpholin-4-yl]-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 119112320
[2-(4-fluorophenyl)morpholin-4-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120615823
2-[2-(4-fluorophenyl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 60949473
methyl 4-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylate
CID 78926608

Frequently Asked Questions

What is the IUPAC name of (4R)-1-cyclopropyl-4-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-cyclopropyl-4-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one (CID 95569973) is (4R)-1-cyclopropyl-4-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-cyclopropyl-4-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-cyclopropyl-4-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one is O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCO[C@@H](c2ccc(F)cc2)C1.
What is the InChIKey of (4R)-1-cyclopropyl-4-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one?
The InChIKey is AILMECVNKWSZLO-CZUORRHYSA-N. The full InChI is InChI=1S/C18H21FN2O3/c19-14-3-1-12(2-4-14)16-11-20(7-8-24-16)18(23)13-9-17(22)21(10-13)15-5-6-15/h1-4,13,15-16H,5-11H2/t13-,16-/m1/s1.
What are the key properties of (4R)-1-cyclopropyl-4-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one?
(4R)-1-cyclopropyl-4-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one has a molecular weight of 332.38 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-cyclopropyl-4-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 95569973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).