[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(triazol-1-yl)phenyl]methanone

C17H22N4O3 — CID 128978746

IUPAC[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(triazol-1-yl)phenyl]methanone
SMILESCOCC1CN(C(=O)c2ccc(-n3ccnn3)cc2)CC(C)(C)O1
InChIInChI=1S/C17H22N4O3/c1-17(2)12-20(10-15(24-17)11-23-3)16(22)13-4-6-14(7-5-13)21-9-8-18-19-21/h4-9,15H,10-12H2,1-3H3
InChIKeyUAADIRMMVQKASO-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.53
Rot. Bonds4

About [6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(triazol-1-yl)phenyl]methanone

[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(triazol-1-yl)phenyl]methanone (PubChem CID 128978746) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is [6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(triazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(triazol-1-yl)phenyl]methanone
PubChem CID128978746
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(triazol-1-yl)phenyl]methanone
SMILESCOCC1CN(C(=O)c2ccc(-n3ccnn3)cc2)CC(C)(C)O1
InChIInChI=1S/C17H22N4O3/c1-17(2)12-20(10-15(24-17)11-23-3)16(22)13-4-6-14(7-5-13)21-9-8-18-19-21/h4-9,15H,10-12H2,1-3H3
InChIKeyUAADIRMMVQKASO-UHFFFAOYSA-N
XLogP1.53
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[3-(triazol-1-yl)phenyl]methanone
CID 129484539
[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone
CID 128978537
[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone
CID 129485960
[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(6-methyl-3-pyridinyl)methanone
CID 129485933
furan-3-yl-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 129485837
[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-methylpyridazin-4-yl)methanone
CID 154744784
[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone
CID 128978740
[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-quinolin-6-ylmethanone
CID 128978468
[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 128964827
(5-hydroxy-3-pyridinyl)-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 128978801
[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-phenylpyrazol-3-yl)methanone
CID 129484804
[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone
CID 129484739

Frequently Asked Questions

What is the IUPAC name of [6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(triazol-1-yl)phenyl]methanone?
The IUPAC name of [6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(triazol-1-yl)phenyl]methanone (CID 128978746) is [6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(triazol-1-yl)phenyl]methanone.
What is the SMILES notation for [6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(triazol-1-yl)phenyl]methanone?
The canonical SMILES for [6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(triazol-1-yl)phenyl]methanone is COCC1CN(C(=O)c2ccc(-n3ccnn3)cc2)CC(C)(C)O1.
What is the InChIKey of [6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(triazol-1-yl)phenyl]methanone?
The InChIKey is UAADIRMMVQKASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-17(2)12-20(10-15(24-17)11-23-3)16(22)13-4-6-14(7-5-13)21-9-8-18-19-21/h4-9,15H,10-12H2,1-3H3.
What are the key properties of [6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(triazol-1-yl)phenyl]methanone?
[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(triazol-1-yl)phenyl]methanone has a molecular weight of 330.39 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(triazol-1-yl)phenyl]methanone is sourced from PubChem (CID 128978746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).