(4S)-4-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one

C17H23N3O3 — CID 100844938

IUPAC(4S)-4-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
SMILESC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)[C@@H](C)CO1
InChIInChI=1S/C17H23N3O3/c1-12-11-23-13(2)8-20(12)17(22)14-7-16(21)19(9-14)10-15-5-3-4-6-18-15/h3-6,12-14H,7-11H2,1-2H3/t12-,13+,14-/m0/s1
InChIKeyARHGIODXIJYYBH-MJBXVCDLSA-N
MW317.39 g/mol
LogP1.07
Rot. Bonds3

About (4S)-4-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one

(4S)-4-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one (PubChem CID 100844938) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (4S)-4-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
PubChem CID100844938
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(4S)-4-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
SMILESC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)[C@@H](C)CO1
InChIInChI=1S/C17H23N3O3/c1-12-11-23-13(2)8-20(12)17(22)14-7-16(21)19(9-14)10-15-5-3-4-6-18-15/h3-6,12-14H,7-11H2,1-2H3/t12-,13+,14-/m0/s1
InChIKeyARHGIODXIJYYBH-MJBXVCDLSA-N
XLogP1.07
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 94053953
(3R)-4-[(3S)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]morpholine-3-carboxylic acid
CID 125419089
4-[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]morpholine-3-carboxylic acid
CID 126791996
(3R)-2-[(3R)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 125153665
(4S)-4-[(3aR,7aS)-1,3,3a,4,7,7a-hexahydroisoindole-2-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 95532445
(4S)-4-(4-methylsulfonylpiperazine-1-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 94149560
(3R)-N-(5-methyl-2-pyridinyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 38418060
(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 38484249
(4S)-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 97153223
(4S)-4-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 97275458
(4S)-4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 51940683
1-[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 119136932

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one (CID 100844938) is (4S)-4-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one is C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)[C@@H](C)CO1.
What is the InChIKey of (4S)-4-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
The InChIKey is ARHGIODXIJYYBH-MJBXVCDLSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12-11-23-13(2)8-20(12)17(22)14-7-16(21)19(9-14)10-15-5-3-4-6-18-15/h3-6,12-14H,7-11H2,1-2H3/t12-,13+,14-/m0/s1.
What are the key properties of (4S)-4-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
(4S)-4-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one has a molecular weight of 317.39 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 100844938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).