(4S,5S)-5-(3-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one

C16H19FN2O3 — CID 95740528

IUPAC(4S,5S)-5-(3-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
SMILESCN1C(=O)C[C@H](C(=O)N2CCOCC2)[C@H]1c1cccc(F)c1
InChIInChI=1S/C16H19FN2O3/c1-18-14(20)10-13(16(21)19-5-7-22-8-6-19)15(18)11-3-2-4-12(17)9-11/h2-4,9,13,15H,5-8,10H2,1H3/t13-,15+/m0/s1
InChIKeyGLQVIOBGABSKSX-DZGCQCFKSA-N
MW306.34 g/mol
LogP1.20
Rot. Bonds2

About (4S,5S)-5-(3-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one

(4S,5S)-5-(3-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one (PubChem CID 95740528) has the molecular formula C16H19FN2O3 and a molecular weight of 306.34 g/mol. Its IUPAC name is (4S,5S)-5-(3-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-5-(3-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
PubChem CID95740528
Molecular FormulaC16H19FN2O3
Molecular Weight306.34 g/mol
Exact Mass306.14
IUPAC Name(4S,5S)-5-(3-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
SMILESCN1C(=O)C[C@H](C(=O)N2CCOCC2)[C@H]1c1cccc(F)c1
InChIInChI=1S/C16H19FN2O3/c1-18-14(20)10-13(16(21)19-5-7-22-8-6-19)15(18)11-3-2-4-12(17)9-11/h2-4,9,13,15H,5-8,10H2,1H3/t13-,15+/m0/s1
InChIKeyGLQVIOBGABSKSX-DZGCQCFKSA-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

(4R,5R)-5-(3-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 95740527
(4R,5R)-5-(4-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 95740393
(5S,6S)-6-(3-fluorophenyl)-1-methyl-5-(pyrrolidine-1-carbonyl)piperidin-2-one
CID 95740162
(5S,6R)-6-(3-fluorophenyl)-1-methyl-5-(piperidine-1-carbonyl)piperidin-2-one
CID 95740187
(5R,6S)-6-(3-fluorophenyl)-1-methyl-5-(thiomorpholine-4-carbonyl)piperidin-2-one
CID 95740180
(5S,6R)-6-(4-fluorophenyl)-1-methyl-5-(morpholine-4-carbonyl)piperidin-2-one
CID 97457697
(4R,5S)-1-methyl-4-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrrolidin-2-one
CID 97457021
(5R,6R)-5-(4-ethylpiperazine-1-carbonyl)-6-(3-fluorophenyl)-1-methylpiperidin-2-one
CID 95740139
5-(4-fluorophenyl)-1-methyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 71689611
(5R,6S)-5-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-6-(3-fluorophenyl)-1-methylpiperidin-2-one
CID 95740114
[4-(3-fluorophenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 42680068
(5R,6S)-5-(3-fluorophenyl)-4-methyl-6-(pyrrolidine-1-carbonyl)morpholin-3-one
CID 95740004

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-(3-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one?
The IUPAC name of (4S,5S)-5-(3-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one (CID 95740528) is (4S,5S)-5-(3-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for (4S,5S)-5-(3-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one?
The canonical SMILES for (4S,5S)-5-(3-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one is CN1C(=O)C[C@H](C(=O)N2CCOCC2)[C@H]1c1cccc(F)c1.
What is the InChIKey of (4S,5S)-5-(3-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one?
The InChIKey is GLQVIOBGABSKSX-DZGCQCFKSA-N. The full InChI is InChI=1S/C16H19FN2O3/c1-18-14(20)10-13(16(21)19-5-7-22-8-6-19)15(18)11-3-2-4-12(17)9-11/h2-4,9,13,15H,5-8,10H2,1H3/t13-,15+/m0/s1.
What are the key properties of (4S,5S)-5-(3-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one?
(4S,5S)-5-(3-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 (4S,5S)-5-(3-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 95740528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).