morpholin-4-yl-[(2S,4S)-4-phenoxy-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methanone

C21H23N3O4 — CID 110198171

IUPACmorpholin-4-yl-[(2S,4S)-4-phenoxy-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methanone
SMILESO=C([C@@H]1C[C@H](Oc2ccccc2)CN1C(=O)c1ccccn1)N1CCOCC1
InChIInChI=1S/C21H23N3O4/c25-20(18-8-4-5-9-22-18)24-15-17(28-16-6-2-1-3-7-16)14-19(24)21(26)23-10-12-27-13-11-23/h1-9,17,19H,10-15H2/t17-,19-/m0/s1
InChIKeyVRXQTKQSZYSOPB-HKUYNNGSSA-N
MW381.43 g/mol
LogP1.60
Rot. Bonds4

About morpholin-4-yl-[(2S,4S)-4-phenoxy-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methanone

morpholin-4-yl-[(2S,4S)-4-phenoxy-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methanone (PubChem CID 110198171) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is morpholin-4-yl-[(2S,4S)-4-phenoxy-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[(2S,4S)-4-phenoxy-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methanone
PubChem CID110198171
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Namemorpholin-4-yl-[(2S,4S)-4-phenoxy-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methanone
SMILESO=C([C@@H]1C[C@H](Oc2ccccc2)CN1C(=O)c1ccccn1)N1CCOCC1
InChIInChI=1S/C21H23N3O4/c25-20(18-8-4-5-9-22-18)24-15-17(28-16-6-2-1-3-7-16)14-19(24)21(26)23-10-12-27-13-11-23/h1-9,17,19H,10-15H2/t17-,19-/m0/s1
InChIKeyVRXQTKQSZYSOPB-HKUYNNGSSA-N
XLogP1.60
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

morpholin-4-yl-[4-phenoxy-1-(pyridine-4-carbonyl)pyrrolidin-2-yl]methanone
CID 171142070
[(2S,4S)-1-(pyridine-2-carbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 110198917
1-[(2S,4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidin-1-yl]ethanone
CID 110198184
1-[(2R,4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidin-1-yl]-2-phenoxyethanone
CID 110196877
1-[(2R,4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidin-1-yl]propan-1-one
CID 110196874
(2S,4S)-N-methyl-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidine-1-carboxamide
CID 110198215
[(2S,4S)-1-(1,5-dimethylpyrazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110198684
[(2R,4S)-1-(benzenesulfonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110196831
morpholin-4-yl-[(2S,4S)-1-(1-phenylcyclopropanecarbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]methanone
CID 110198675
[(2S,4S)-1-(3-methylbenzoyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110198632
[(2S,4S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-phenoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 110198486
[(2R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110196990

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[(2S,4S)-4-phenoxy-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methanone?
The IUPAC name of morpholin-4-yl-[(2S,4S)-4-phenoxy-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methanone (CID 110198171) is morpholin-4-yl-[(2S,4S)-4-phenoxy-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[(2S,4S)-4-phenoxy-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methanone?
The canonical SMILES for morpholin-4-yl-[(2S,4S)-4-phenoxy-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methanone is O=C([C@@H]1C[C@H](Oc2ccccc2)CN1C(=O)c1ccccn1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[(2S,4S)-4-phenoxy-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methanone?
The InChIKey is VRXQTKQSZYSOPB-HKUYNNGSSA-N. The full InChI is InChI=1S/C21H23N3O4/c25-20(18-8-4-5-9-22-18)24-15-17(28-16-6-2-1-3-7-16)14-19(24)21(26)23-10-12-27-13-11-23/h1-9,17,19H,10-15H2/t17-,19-/m0/s1.
What are the key properties of morpholin-4-yl-[(2S,4S)-4-phenoxy-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methanone?
morpholin-4-yl-[(2S,4S)-4-phenoxy-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methanone has a molecular weight of 381.43 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[(2S,4S)-4-phenoxy-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methanone is sourced from PubChem (CID 110198171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).