1-[4-[(1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-methoxyethanone

C15H26N4O3 — CID 94028365

IUPAC1-[4-[(1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-methoxyethanone
SMILESCCCCc1noc([C@@H](C)N2CCN(C(=O)COC)CC2)n1
InChIInChI=1S/C15H26N4O3/c1-4-5-6-13-16-15(22-17-13)12(2)18-7-9-19(10-8-18)14(20)11-21-3/h12H,4-11H2,1-3H3/t12-/m1/s1
InChIKeyIJYDKAIFEPTBDF-GFCCVEGCSA-N
MW310.40 g/mol
LogP1.26
Rot. Bonds7

About 1-[4-[(1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-methoxyethanone

1-[4-[(1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-methoxyethanone (PubChem CID 94028365) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[4-[(1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-[(1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-methoxyethanone
PubChem CID94028365
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Name1-[4-[(1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-methoxyethanone
SMILESCCCCc1noc([C@@H](C)N2CCN(C(=O)COC)CC2)n1
InChIInChI=1S/C15H26N4O3/c1-4-5-6-13-16-15(22-17-13)12(2)18-7-9-19(10-8-18)14(20)11-21-3/h12H,4-11H2,1-3H3/t12-/m1/s1
InChIKeyIJYDKAIFEPTBDF-GFCCVEGCSA-N
XLogP1.26
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[(1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-methoxyethanone with MolForge

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Related Compounds

2-methoxy-1-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 94161851
1-[4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 78877280
[4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1,4-diazepan-1-yl]-phenylmethanone
CID 78849039
[4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 55916283
2-(2-methoxyethylamino)-1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 119880650
1-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 94815780
2-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 94799308
2-cyclopentyl-1-[4-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1,4-diazepan-1-yl]ethanone
CID 95327340
2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propanoic acid
CID 119135360
7-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
CID 111457291
3-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 95283793
5-[(1R)-1-(4-ethylpiperazin-1-yl)ethyl]-3-propyl-1,2,4-oxadiazole
CID 94000629

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-[(1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-methoxyethanone (CID 94028365) is 1-[4-[(1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-[(1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-[(1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-methoxyethanone is CCCCc1noc([C@@H](C)N2CCN(C(=O)COC)CC2)n1.
What is the InChIKey of 1-[4-[(1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-methoxyethanone?
The InChIKey is IJYDKAIFEPTBDF-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-4-5-6-13-16-15(22-17-13)12(2)18-7-9-19(10-8-18)14(20)11-21-3/h12H,4-11H2,1-3H3/t12-/m1/s1.
What are the key properties of 1-[4-[(1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-methoxyethanone?
1-[4-[(1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-methoxyethanone has a molecular weight of 310.40 g/mol, XLogP of 1.26, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 94028365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).