(4S)-4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one

C19H25FN2O3 — CID 29056896

IUPAC(4S)-4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one
SMILESC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)C[C@@H](C)O1
InChIInChI=1S/C19H25FN2O3/c1-13-10-22(11-14(2)25-13)19(24)16-9-18(23)21(12-16)8-7-15-3-5-17(20)6-4-15/h3-6,13-14,16H,7-12H2,1-2H3/t13-,14-,16+/m1/s1
InChIKeyHHAXDPLYMJDFJX-FMKPAKJESA-N
MW348.42 g/mol
LogP1.85
Rot. Bonds4

About (4S)-4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one

(4S)-4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one (PubChem CID 29056896) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is (4S)-4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one
PubChem CID29056896
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Name(4S)-4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one
SMILESC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)C[C@@H](C)O1
InChIInChI=1S/C19H25FN2O3/c1-13-10-22(11-14(2)25-13)19(24)16-9-18(23)21(12-16)8-7-15-3-5-17(20)6-4-15/h3-6,13-14,16H,7-12H2,1-2H3/t13-,14-,16+/m1/s1
InChIKeyHHAXDPLYMJDFJX-FMKPAKJESA-N
XLogP1.85
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one?
The IUPAC name of (4S)-4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one (CID 29056896) is (4S)-4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one is C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)C[C@@H](C)O1.
What is the InChIKey of (4S)-4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one?
The InChIKey is HHAXDPLYMJDFJX-FMKPAKJESA-N. The full InChI is InChI=1S/C19H25FN2O3/c1-13-10-22(11-14(2)25-13)19(24)16-9-18(23)21(12-16)8-7-15-3-5-17(20)6-4-15/h3-6,13-14,16H,7-12H2,1-2H3/t13-,14-,16+/m1/s1.
What are the key properties of (4S)-4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one?
(4S)-4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one has a molecular weight of 348.42 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 29056896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).