1-[(2S)-2-methylmorpholin-4-yl]-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone

C15H24N4O3 — CID 100837417

IUPAC1-[(2S)-2-methylmorpholin-4-yl]-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
SMILESCc1noc([C@@H]2CCCN(CC(=O)N3CCO[C@@H](C)C3)C2)n1
InChIInChI=1S/C15H24N4O3/c1-11-8-19(6-7-21-11)14(20)10-18-5-3-4-13(9-18)15-16-12(2)17-22-15/h11,13H,3-10H2,1-2H3/t11-,13+/m0/s1
InChIKeyDRDBOMQNAOBIOU-WCQYABFASA-N
MW308.38 g/mol
LogP0.80
Rot. Bonds3

About 1-[(2S)-2-methylmorpholin-4-yl]-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone

1-[(2S)-2-methylmorpholin-4-yl]-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone (PubChem CID 100837417) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-[(2S)-2-methylmorpholin-4-yl]-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-methylmorpholin-4-yl]-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
PubChem CID100837417
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name1-[(2S)-2-methylmorpholin-4-yl]-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
SMILESCc1noc([C@@H]2CCCN(CC(=O)N3CCO[C@@H](C)C3)C2)n1
InChIInChI=1S/C15H24N4O3/c1-11-8-19(6-7-21-11)14(20)10-18-5-3-4-13(9-18)15-16-12(2)17-22-15/h11,13H,3-10H2,1-2H3/t11-,13+/m0/s1
InChIKeyDRDBOMQNAOBIOU-WCQYABFASA-N
XLogP0.80
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2R)-2-methylmorpholin-4-yl]-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 94571896
2-(azepan-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 51074710
2-(azepan-1-yl)-1-[(2S)-2-methylmorpholin-4-yl]ethanone
CID 94823036
3-cyclohexyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 56728032
5,5-dimethyl-3-[2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 125169620
2-(4-hydroxy-3-methylpiperidin-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 114681420
5-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 56798783
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 95275489
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 51120866
1-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 94498576
N-benzyl-N-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
CID 75462039
2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86827343

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-methylmorpholin-4-yl]-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2-methylmorpholin-4-yl]-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone (CID 100837417) is 1-[(2S)-2-methylmorpholin-4-yl]-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-methylmorpholin-4-yl]-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-methylmorpholin-4-yl]-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone is Cc1noc([C@@H]2CCCN(CC(=O)N3CCO[C@@H](C)C3)C2)n1.
What is the InChIKey of 1-[(2S)-2-methylmorpholin-4-yl]-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
The InChIKey is DRDBOMQNAOBIOU-WCQYABFASA-N. The full InChI is InChI=1S/C15H24N4O3/c1-11-8-19(6-7-21-11)14(20)10-18-5-3-4-13(9-18)15-16-12(2)17-22-15/h11,13H,3-10H2,1-2H3/t11-,13+/m0/s1.
What are the key properties of 1-[(2S)-2-methylmorpholin-4-yl]-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
1-[(2S)-2-methylmorpholin-4-yl]-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone has a molecular weight of 308.38 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-methylmorpholin-4-yl]-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 100837417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).