[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(2R)-6-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-6-azaspiro[2.5]octan-2-yl]methanone

C23H34N2O5 — CID 42212419

IUPAC[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(2R)-6-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-6-azaspiro[2.5]octan-2-yl]methanone
SMILESCOc1cc(CN2CCC3(CC2)C[C@H]3C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc(OC)c1O
InChIInChI=1S/C23H34N2O5/c1-15-12-25(13-16(2)30-15)22(27)18-11-23(18)5-7-24(8-6-23)14-17-9-19(28-3)21(26)20(10-17)29-4/h9-10,15-16,18,26H,5-8,11-14H2,1-4H3/t15-,16+,18-/m0/s1
InChIKeyUDAQKEQMUYGIBP-JZXOWHBKSA-N
MW418.53 g/mol
LogP2.65
Rot. Bonds5

About [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(2R)-6-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-6-azaspiro[2.5]octan-2-yl]methanone

[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(2R)-6-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-6-azaspiro[2.5]octan-2-yl]methanone (PubChem CID 42212419) has the molecular formula C23H34N2O5 and a molecular weight of 418.53 g/mol. Its IUPAC name is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(2R)-6-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-6-azaspiro[2.5]octan-2-yl]methanone.

Molecular Properties

Compound Name[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(2R)-6-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-6-azaspiro[2.5]octan-2-yl]methanone
PubChem CID42212419
Molecular FormulaC23H34N2O5
Molecular Weight418.53 g/mol
Exact Mass418.25
IUPAC Name[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(2R)-6-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-6-azaspiro[2.5]octan-2-yl]methanone
SMILESCOc1cc(CN2CCC3(CC2)C[C@H]3C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc(OC)c1O
InChIInChI=1S/C23H34N2O5/c1-15-12-25(13-16(2)30-15)22(27)18-11-23(18)5-7-24(8-6-23)14-17-9-19(28-3)21(26)20(10-17)29-4/h9-10,15-16,18,26H,5-8,11-14H2,1-4H3/t15-,16+,18-/m0/s1
InChIKeyUDAQKEQMUYGIBP-JZXOWHBKSA-N
XLogP2.65
TPSA71.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(2R)-6-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-6-azaspiro[2.5]octan-2-yl]methanone?
The IUPAC name of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(2R)-6-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-6-azaspiro[2.5]octan-2-yl]methanone (CID 42212419) is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(2R)-6-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-6-azaspiro[2.5]octan-2-yl]methanone.
What is the SMILES notation for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(2R)-6-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-6-azaspiro[2.5]octan-2-yl]methanone?
The canonical SMILES for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(2R)-6-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-6-azaspiro[2.5]octan-2-yl]methanone is COc1cc(CN2CCC3(CC2)C[C@H]3C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc(OC)c1O.
What is the InChIKey of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(2R)-6-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-6-azaspiro[2.5]octan-2-yl]methanone?
The InChIKey is UDAQKEQMUYGIBP-JZXOWHBKSA-N. The full InChI is InChI=1S/C23H34N2O5/c1-15-12-25(13-16(2)30-15)22(27)18-11-23(18)5-7-24(8-6-23)14-17-9-19(28-3)21(26)20(10-17)29-4/h9-10,15-16,18,26H,5-8,11-14H2,1-4H3/t15-,16+,18-/m0/s1.
What are the key properties of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(2R)-6-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-6-azaspiro[2.5]octan-2-yl]methanone?
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(2R)-6-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-6-azaspiro[2.5]octan-2-yl]methanone has a molecular weight of 418.53 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(2R)-6-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-6-azaspiro[2.5]octan-2-yl]methanone is sourced from PubChem (CID 42212419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).