1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone

C16H26N4O2S — CID 97047593

IUPAC1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone
SMILESCc1nnc(C2CCN(CC(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)s1
InChIInChI=1S/C16H26N4O2S/c1-11-8-20(9-12(2)22-11)15(21)10-19-6-4-14(5-7-19)16-18-17-13(3)23-16/h11-12,14H,4-10H2,1-3H3/t11-,12-/m0/s1
InChIKeyUDOZLOYBFQFYQF-RYUDHWBXSA-N
MW338.48 g/mol
LogP1.66
Rot. Bonds3

About 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone

1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 97047593) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone
PubChem CID97047593
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone
SMILESCc1nnc(C2CCN(CC(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)s1
InChIInChI=1S/C16H26N4O2S/c1-11-8-20(9-12(2)22-11)15(21)10-19-6-4-14(5-7-19)16-18-17-13(3)23-16/h11-12,14H,4-10H2,1-3H3/t11-,12-/m0/s1
InChIKeyUDOZLOYBFQFYQF-RYUDHWBXSA-N
XLogP1.66
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone
CID 71793810
2-(4-aminopiperidin-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 43556595
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
CID 121116639
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 60768713
1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperidine-4-carbaldehyde
CID 62656806
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
CID 121116730
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 60503561
1-(2,6-dimethylmorpholin-4-yl)-2-(3-hydroxyazetidin-1-yl)ethanone
CID 63282275
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 56725380
1-(2,6-dimethylmorpholin-4-yl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 78782485
1-[(2R)-2-methylmorpholin-4-yl]-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 94571896
2-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 8917312

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone (CID 97047593) is 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone is Cc1nnc(C2CCN(CC(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)s1.
What is the InChIKey of 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is UDOZLOYBFQFYQF-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-11-8-20(9-12(2)22-11)15(21)10-19-6-4-14(5-7-19)16-18-17-13(3)23-16/h11-12,14H,4-10H2,1-3H3/t11-,12-/m0/s1.
What are the key properties of 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone?
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 338.48 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 97047593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).