1-(2,6-dimethylmorpholin-4-yl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone

C19H26N4O3S — CID 121116730

IUPAC1-(2,6-dimethylmorpholin-4-yl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
SMILESCC1CN(C(=O)CN2CCC(c3nnc(-c4ccsc4)o3)CC2)CC(C)O1
InChIInChI=1S/C19H26N4O3S/c1-13-9-23(10-14(2)25-13)17(24)11-22-6-3-15(4-7-22)18-20-21-19(26-18)16-5-8-27-12-16/h5,8,12-15H,3-4,6-7,9-11H2,1-2H3
InChIKeyBHJNEZJKXBWYAI-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.61
Rot. Bonds4

About 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone

1-(2,6-dimethylmorpholin-4-yl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 121116730) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
PubChem CID121116730
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
SMILESCC1CN(C(=O)CN2CCC(c3nnc(-c4ccsc4)o3)CC2)CC(C)O1
InChIInChI=1S/C19H26N4O3S/c1-13-9-23(10-14(2)25-13)17(24)11-22-6-3-15(4-7-22)18-20-21-19(26-18)16-5-8-27-12-16/h5,8,12-15H,3-4,6-7,9-11H2,1-2H3
InChIKeyBHJNEZJKXBWYAI-UHFFFAOYSA-N
XLogP2.61
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetate
CID 121116782
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
CID 121116639
3-methoxy-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one
CID 92610969
2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 121116733
2-thiophen-2-yl-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
CID 71793008
N-(4-ethoxyphenyl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide
CID 121116741
2-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
CID 121116704
N-ethyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 121114764
2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 121116748
2-(4-ethoxyphenoxy)-1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
CID 121114636
N,N-dimethyl-4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-sulfonamide
CID 121117215
N-(4-chlorophenyl)-4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 121114489

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone (CID 121116730) is 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone is CC1CN(C(=O)CN2CCC(c3nnc(-c4ccsc4)o3)CC2)CC(C)O1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is BHJNEZJKXBWYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-13-9-23(10-14(2)25-13)17(24)11-22-6-3-15(4-7-22)18-20-21-19(26-18)16-5-8-27-12-16/h5,8,12-15H,3-4,6-7,9-11H2,1-2H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone?
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 390.51 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 121116730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).