[(2S,3aR,7aS)-6-(oxan-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-morpholin-4-ylmethanone

C17H28N2O4 — CID 124787721

IUPAC[(2S,3aR,7aS)-6-(oxan-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1C[C@H]2CCN(C3CCOCC3)C[C@H]2O1)N1CCOCC1
InChIInChI=1S/C17H28N2O4/c20-17(18-5-9-22-10-6-18)15-11-13-1-4-19(12-16(13)23-15)14-2-7-21-8-3-14/h13-16H,1-12H2/t13-,15+,16-/m1/s1
InChIKeyTWUXQYQAPAIYGP-VNQPRFMTSA-N
MW324.42 g/mol
LogP0.50
Rot. Bonds2

About [(2S,3aR,7aS)-6-(oxan-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-morpholin-4-ylmethanone

[(2S,3aR,7aS)-6-(oxan-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-morpholin-4-ylmethanone (PubChem CID 124787721) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is [(2S,3aR,7aS)-6-(oxan-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S,3aR,7aS)-6-(oxan-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-morpholin-4-ylmethanone
PubChem CID124787721
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Name[(2S,3aR,7aS)-6-(oxan-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1C[C@H]2CCN(C3CCOCC3)C[C@H]2O1)N1CCOCC1
InChIInChI=1S/C17H28N2O4/c20-17(18-5-9-22-10-6-18)15-11-13-1-4-19(12-16(13)23-15)14-2-7-21-8-3-14/h13-16H,1-12H2/t13-,15+,16-/m1/s1
InChIKeyTWUXQYQAPAIYGP-VNQPRFMTSA-N
XLogP0.50
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2S,3aR,7aS)-6-(oxan-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

(2R,3aS,7aS)-N,N-dimethyl-6-(oxan-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97388452
(2R,3aS,7aR)-6-(oxan-4-yl)-N-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366930
[(2S,3aS,7aS)-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-morpholin-4-ylmethanone
CID 97366678
[(2S,3aS,7aS)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-morpholin-4-ylmethanone
CID 97366679
[(2R,3aS,7aR)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-morpholin-4-ylmethanone
CID 97366916
[(2S,3aS,7aR)-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 155828821
[(3aS,7aR)-2-(pyrrolidine-1-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(3-methylcyclobutyl)methanone
CID 131683443
morpholin-4-yl(oxetan-2-yl)methanone
CID 130874953
5-(morpholine-4-carbonyl)oxolane-2-carboxylic acid
CID 102687423
[(2R,3aS,7aR)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone
CID 97366906
[(2S,3aS,7aS)-6-(furan-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone
CID 97366669
[(2S,3aR,7aS)-6-(1,3-benzodioxol-5-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone
CID 124787097

Frequently Asked Questions

What is the IUPAC name of [(2S,3aR,7aS)-6-(oxan-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2S,3aR,7aS)-6-(oxan-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-morpholin-4-ylmethanone (CID 124787721) is [(2S,3aR,7aS)-6-(oxan-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2S,3aR,7aS)-6-(oxan-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2S,3aR,7aS)-6-(oxan-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-morpholin-4-ylmethanone is O=C([C@@H]1C[C@H]2CCN(C3CCOCC3)C[C@H]2O1)N1CCOCC1.
What is the InChIKey of [(2S,3aR,7aS)-6-(oxan-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is TWUXQYQAPAIYGP-VNQPRFMTSA-N. The full InChI is InChI=1S/C17H28N2O4/c20-17(18-5-9-22-10-6-18)15-11-13-1-4-19(12-16(13)23-15)14-2-7-21-8-3-14/h13-16H,1-12H2/t13-,15+,16-/m1/s1.
What are the key properties of [(2S,3aR,7aS)-6-(oxan-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-morpholin-4-ylmethanone?
[(2S,3aR,7aS)-6-(oxan-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 324.42 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3aR,7aS)-6-(oxan-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 124787721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).