[(3S,3aR,7aS)-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-(3-methoxy-4-pyridinyl)methanone

C18H25N3O4 — CID 131688585

IUPAC[(3S,3aR,7aS)-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-(3-methoxy-4-pyridinyl)methanone
SMILESCOc1cnccc1C(=O)N1C[C@H](N2CCOCC2)[C@@H]2OCCC[C@@H]21
InChIInChI=1S/C18H25N3O4/c1-23-16-11-19-5-4-13(16)18(22)21-12-15(20-6-9-24-10-7-20)17-14(21)3-2-8-25-17/h4-5,11,14-15,17H,2-3,6-10,12H2,1H3/t14-,15-,17+/m0/s1
InChIKeyMKMKWIPYOIZDQX-YQQAZPJKSA-N
MW347.42 g/mol
LogP0.79
Rot. Bonds3

About [(3S,3aR,7aS)-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-(3-methoxy-4-pyridinyl)methanone

[(3S,3aR,7aS)-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-(3-methoxy-4-pyridinyl)methanone (PubChem CID 131688585) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is [(3S,3aR,7aS)-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-(3-methoxy-4-pyridinyl)methanone.

Molecular Properties

Compound Name[(3S,3aR,7aS)-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-(3-methoxy-4-pyridinyl)methanone
PubChem CID131688585
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name[(3S,3aR,7aS)-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-(3-methoxy-4-pyridinyl)methanone
SMILESCOc1cnccc1C(=O)N1C[C@H](N2CCOCC2)[C@@H]2OCCC[C@@H]21
InChIInChI=1S/C18H25N3O4/c1-23-16-11-19-5-4-13(16)18(22)21-12-15(20-6-9-24-10-7-20)17-14(21)3-2-8-25-17/h4-5,11,14-15,17H,2-3,6-10,12H2,1H3/t14-,15-,17+/m0/s1
InChIKeyMKMKWIPYOIZDQX-YQQAZPJKSA-N
XLogP0.79
TPSA64.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3S,3aR,7aS)-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-(3-methoxy-4-pyridinyl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(3-methoxy-4-pyridinyl)-morpholin-4-ylmethanone
CID 105063802
[3-(aminomethyl)piperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone
CID 105062936
[4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-(3-methoxy-4-pyridinyl)methanone
CID 131691435
[4-(chloromethyl)piperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone
CID 105064486
(3-methoxy-4-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 105064068
(3,5-dimethylpiperazin-1-yl)-(3-methoxy-4-pyridinyl)methanone
CID 105064090
[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-(3-methoxy-4-pyridinyl)methanone
CID 102787927
[4-(ethylamino)piperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone
CID 105062869
[(3R,3aS,7aR)-3-(pyridin-4-ylmethoxy)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 97366290
cyclobutyl-(3-methoxy-4-pyridinyl)methanone
CID 105065110
ethyl 1-(3-methoxypyridine-4-carbonyl)piperidine-4-carboxylate
CID 105064219
(3-methoxy-4-pyridinyl)-(4-prop-2-enyl-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-8-yl)methanone
CID 131688385

Frequently Asked Questions

What is the IUPAC name of [(3S,3aR,7aS)-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-(3-methoxy-4-pyridinyl)methanone?
The IUPAC name of [(3S,3aR,7aS)-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-(3-methoxy-4-pyridinyl)methanone (CID 131688585) is [(3S,3aR,7aS)-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-(3-methoxy-4-pyridinyl)methanone.
What is the SMILES notation for [(3S,3aR,7aS)-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-(3-methoxy-4-pyridinyl)methanone?
The canonical SMILES for [(3S,3aR,7aS)-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-(3-methoxy-4-pyridinyl)methanone is COc1cnccc1C(=O)N1C[C@H](N2CCOCC2)[C@@H]2OCCC[C@@H]21.
What is the InChIKey of [(3S,3aR,7aS)-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-(3-methoxy-4-pyridinyl)methanone?
The InChIKey is MKMKWIPYOIZDQX-YQQAZPJKSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-23-16-11-19-5-4-13(16)18(22)21-12-15(20-6-9-24-10-7-20)17-14(21)3-2-8-25-17/h4-5,11,14-15,17H,2-3,6-10,12H2,1H3/t14-,15-,17+/m0/s1.
What are the key properties of [(3S,3aR,7aS)-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-(3-methoxy-4-pyridinyl)methanone?
[(3S,3aR,7aS)-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-(3-methoxy-4-pyridinyl)methanone has a molecular weight of 347.42 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,3aR,7aS)-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-(3-methoxy-4-pyridinyl)methanone is sourced from PubChem (CID 131688585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).