[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone

C16H27N3O3 — CID 129485236

IUPAC[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone
SMILESCOC[C@H]1CN(C(=O)c2cn(C)nc2C(C)C)CC(C)(C)O1
InChIInChI=1S/C16H27N3O3/c1-11(2)14-13(8-18(5)17-14)15(20)19-7-12(9-21-6)22-16(3,4)10-19/h8,11-12H,7,9-10H2,1-6H3/t12-/m1/s1
InChIKeyUZWINQZAVQAKJF-GFCCVEGCSA-N
MW309.41 g/mol
LogP1.81
Rot. Bonds4

About [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone

[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone (PubChem CID 129485236) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone
PubChem CID129485236
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone
SMILESCOC[C@H]1CN(C(=O)c2cn(C)nc2C(C)C)CC(C)(C)O1
InChIInChI=1S/C16H27N3O3/c1-11(2)14-13(8-18(5)17-14)15(20)19-7-12(9-21-6)22-16(3,4)10-19/h8,11-12H,7,9-10H2,1-6H3/t12-/m1/s1
InChIKeyUZWINQZAVQAKJF-GFCCVEGCSA-N
XLogP1.81
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone?
The IUPAC name of [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone (CID 129485236) is [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone.
What is the SMILES notation for [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone?
The canonical SMILES for [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone is COC[C@H]1CN(C(=O)c2cn(C)nc2C(C)C)CC(C)(C)O1.
What is the InChIKey of [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone?
The InChIKey is UZWINQZAVQAKJF-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-11(2)14-13(8-18(5)17-14)15(20)19-7-12(9-21-6)22-16(3,4)10-19/h8,11-12H,7,9-10H2,1-6H3/t12-/m1/s1.
What are the key properties of [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone?
[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone has a molecular weight of 309.41 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 129485236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).