[(3aS,7aS)-5-(oxan-4-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-morpholin-4-ylmethanone

C17H28N2O4 — CID 124785555

IUPAC[(3aS,7aS)-5-(oxan-4-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)[C@]12CCO[C@H]1CCN(C1CCOCC1)C2
InChIInChI=1S/C17H28N2O4/c20-16(18-6-11-22-12-7-18)17-4-10-23-15(17)1-5-19(13-17)14-2-8-21-9-3-14/h14-15H,1-13H2/t15-,17-/m0/s1
InChIKeyDNWKFTPIXSLFKN-RDJZCZTQSA-N
MW324.42 g/mol
LogP0.51
Rot. Bonds2

About [(3aS,7aS)-5-(oxan-4-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-morpholin-4-ylmethanone

[(3aS,7aS)-5-(oxan-4-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-morpholin-4-ylmethanone (PubChem CID 124785555) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is [(3aS,7aS)-5-(oxan-4-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(3aS,7aS)-5-(oxan-4-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-morpholin-4-ylmethanone
PubChem CID124785555
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Name[(3aS,7aS)-5-(oxan-4-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)[C@]12CCO[C@H]1CCN(C1CCOCC1)C2
InChIInChI=1S/C17H28N2O4/c20-16(18-6-11-22-12-7-18)17-4-10-23-15(17)1-5-19(13-17)14-2-8-21-9-3-14/h14-15H,1-13H2/t15-,17-/m0/s1
InChIKeyDNWKFTPIXSLFKN-RDJZCZTQSA-N
XLogP0.51
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 ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3aS,7aS)-5-(oxan-4-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-morpholin-4-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3aS,7aS)-5-(oxan-4-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(3aS,7aS)-5-(oxan-4-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-morpholin-4-ylmethanone (CID 124785555) is [(3aS,7aS)-5-(oxan-4-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(3aS,7aS)-5-(oxan-4-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(3aS,7aS)-5-(oxan-4-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)[C@]12CCO[C@H]1CCN(C1CCOCC1)C2.
What is the InChIKey of [(3aS,7aS)-5-(oxan-4-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-morpholin-4-ylmethanone?
The InChIKey is DNWKFTPIXSLFKN-RDJZCZTQSA-N. The full InChI is InChI=1S/C17H28N2O4/c20-16(18-6-11-22-12-7-18)17-4-10-23-15(17)1-5-19(13-17)14-2-8-21-9-3-14/h14-15H,1-13H2/t15-,17-/m0/s1.
What are the key properties of [(3aS,7aS)-5-(oxan-4-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-morpholin-4-ylmethanone?
[(3aS,7aS)-5-(oxan-4-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-morpholin-4-ylmethanone has a molecular weight of 324.42 g/mol, XLogP of 0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,7aS)-5-(oxan-4-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 124785555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).