(4R,5R)-5-(4-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one

C16H19FN2O3 — CID 95740393

IUPAC(4R,5R)-5-(4-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
SMILESCN1C(=O)C[C@@H](C(=O)N2CCOCC2)[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C16H19FN2O3/c1-18-14(20)10-13(16(21)19-6-8-22-9-7-19)15(18)11-2-4-12(17)5-3-11/h2-5,13,15H,6-10H2,1H3/t13-,15+/m1/s1
InChIKeyWEHNETWWMLXEHW-HIFRSBDPSA-N
MW306.34 g/mol
LogP1.20
Rot. Bonds2

About (4R,5R)-5-(4-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one

(4R,5R)-5-(4-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one (PubChem CID 95740393) has the molecular formula C16H19FN2O3 and a molecular weight of 306.34 g/mol. Its IUPAC name is (4R,5R)-5-(4-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-5-(4-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
PubChem CID95740393
Molecular FormulaC16H19FN2O3
Molecular Weight306.34 g/mol
Exact Mass306.14
IUPAC Name(4R,5R)-5-(4-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
SMILESCN1C(=O)C[C@@H](C(=O)N2CCOCC2)[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C16H19FN2O3/c1-18-14(20)10-13(16(21)19-6-8-22-9-7-19)15(18)11-2-4-12(17)5-3-11/h2-5,13,15H,6-10H2,1H3/t13-,15+/m1/s1
InChIKeyWEHNETWWMLXEHW-HIFRSBDPSA-N
XLogP1.20
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S,6R)-6-(4-fluorophenyl)-1-methyl-5-(morpholine-4-carbonyl)piperidin-2-one
CID 97457697
5-(4-fluorophenyl)-1-methyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 71689611
(4R,5R)-5-(3-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 95740527
(4S,5S)-5-(3-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 95740528
(4S,5S)-5-(4-fluorophenyl)-1-methyl-4-(thiomorpholine-4-carbonyl)pyrrolidin-2-one
CID 95740508
1-[(2R,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylic acid
CID 129402131
1-[2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylic acid
CID 120512274
1-[(2S,3S)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylic acid
CID 129402132
(4R,5R)-5-(4-fluorophenyl)-1-methyl-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 124776857
(4R,5S)-1-methyl-4-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrrolidin-2-one
CID 97457021
(4S,5R)-4-(azepane-1-carbonyl)-1-methyl-5-(4-methylphenyl)pyrrolidin-2-one
CID 97457246
(5R,6R)-6-(4-methoxyphenyl)-1-methyl-5-(morpholine-4-carbonyl)piperidin-2-one
CID 95740229

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-(4-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one?
The IUPAC name of (4R,5R)-5-(4-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one (CID 95740393) is (4R,5R)-5-(4-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for (4R,5R)-5-(4-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one?
The canonical SMILES for (4R,5R)-5-(4-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one is CN1C(=O)C[C@@H](C(=O)N2CCOCC2)[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (4R,5R)-5-(4-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one?
The InChIKey is WEHNETWWMLXEHW-HIFRSBDPSA-N. The full InChI is InChI=1S/C16H19FN2O3/c1-18-14(20)10-13(16(21)19-6-8-22-9-7-19)15(18)11-2-4-12(17)5-3-11/h2-5,13,15H,6-10H2,1H3/t13-,15+/m1/s1.
What are the key properties of (4R,5R)-5-(4-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one?
(4R,5R)-5-(4-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one has a molecular weight of 306.34 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-(4-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 95740393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).