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

C18H30N4O3 — CID 121116639

IUPAC1-(2,6-dimethylmorpholin-4-yl)-2-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
SMILESCC1CN(C(=O)CN2CCC(c3nnc(C(C)C)o3)CC2)CC(C)O1
InChIInChI=1S/C18H30N4O3/c1-12(2)17-19-20-18(25-17)15-5-7-21(8-6-15)11-16(23)22-9-13(3)24-14(4)10-22/h12-15H,5-11H2,1-4H3
InChIKeyWWLUEVCQKLCOBJ-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.01
Rot. Bonds4

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

1-(2,6-dimethylmorpholin-4-yl)-2-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 121116639) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-2-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
PubChem CID121116639
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-2-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
SMILESCC1CN(C(=O)CN2CCC(c3nnc(C(C)C)o3)CC2)CC(C)O1
InChIInChI=1S/C18H30N4O3/c1-12(2)17-19-20-18(25-17)15-5-7-21(8-6-15)11-16(23)22-9-13(3)24-14(4)10-22/h12-15H,5-11H2,1-4H3
InChIKeyWWLUEVCQKLCOBJ-UHFFFAOYSA-N
XLogP2.01
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone (CID 121116639) is 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(5-propan-2-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-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone is CC1CN(C(=O)CN2CCC(c3nnc(C(C)C)o3)CC2)CC(C)O1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is WWLUEVCQKLCOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-12(2)17-19-20-18(25-17)15-5-7-21(8-6-15)11-16(23)22-9-13(3)24-14(4)10-22/h12-15H,5-11H2,1-4H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone?
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 350.46 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 121116639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).