2-methoxy-1-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone

C12H20N4O3 — CID 94161851

IUPAC2-methoxy-1-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
SMILESCOCC(=O)N1CCN([C@H](C)c2nc(C)no2)CC1
InChIInChI=1S/C12H20N4O3/c1-9(12-13-10(2)14-19-12)15-4-6-16(7-5-15)11(17)8-18-3/h9H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyHMSGVEATOISMMK-SECBINFHSA-N
MW268.32 g/mol
LogP0.23
Rot. Bonds4

About 2-methoxy-1-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone

2-methoxy-1-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone (PubChem CID 94161851) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-methoxy-1-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
PubChem CID94161851
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name2-methoxy-1-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
SMILESCOCC(=O)N1CCN([C@H](C)c2nc(C)no2)CC1
InChIInChI=1S/C12H20N4O3/c1-9(12-13-10(2)14-19-12)15-4-6-16(7-5-15)11(17)8-18-3/h9H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyHMSGVEATOISMMK-SECBINFHSA-N
XLogP0.23
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methoxy-1-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-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 2-methoxy-1-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone (CID 94161851) is 2-methoxy-1-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone is COCC(=O)N1CCN([C@H](C)c2nc(C)no2)CC1.
What is the InChIKey of 2-methoxy-1-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone?
The InChIKey is HMSGVEATOISMMK-SECBINFHSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-9(12-13-10(2)14-19-12)15-4-6-16(7-5-15)11(17)8-18-3/h9H,4-8H2,1-3H3/t9-/m1/s1.
What are the key properties of 2-methoxy-1-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone?
2-methoxy-1-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone has a molecular weight of 268.32 g/mol, XLogP of 0.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 94161851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).