1-piperazin-1-yl-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone

C11H18N4O2 — CID 82511042

IUPAC1-piperazin-1-yl-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone
SMILESCC(C)c1nc(CC(=O)N2CCNCC2)no1
InChIInChI=1S/C11H18N4O2/c1-8(2)11-13-9(14-17-11)7-10(16)15-5-3-12-4-6-15/h8,12H,3-7H2,1-2H3
InChIKeySRCXMAFBACHDLH-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.17
Rot. Bonds3

About 1-piperazin-1-yl-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone

1-piperazin-1-yl-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone (PubChem CID 82511042) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-piperazin-1-yl-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone.

Molecular Properties

Compound Name1-piperazin-1-yl-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone
PubChem CID82511042
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name1-piperazin-1-yl-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone
SMILESCC(C)c1nc(CC(=O)N2CCNCC2)no1
InChIInChI=1S/C11H18N4O2/c1-8(2)11-13-9(14-17-11)7-10(16)15-5-3-12-4-6-15/h8,12H,3-7H2,1-2H3
InChIKeySRCXMAFBACHDLH-UHFFFAOYSA-N
XLogP0.17
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-piperazin-1-ylazetidin-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 66197727
10,10-difluoro-2-(2-methoxyethyl)-8-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 133140729
1-[(8S)-2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone
CID 124819429
3-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methylamino]butanoic acid
CID 54959196
1-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 94815780
ethane;4-methyl-1-piperazin-1-ylpentan-1-one
CID 143763421
1-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
CID 119880709
2-[piperidin-4-yl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]acetamide
CID 61497293
2-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)propanamide
CID 28709201
2-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylethanone
CID 82132922
2-[(3-methyl-1,2,4-oxadiazol-5-yl)sulfanyl]-1-piperazin-1-ylethanone
CID 82511565
2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-1-piperazin-1-ylethanone
CID 82501377

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone?
The IUPAC name of 1-piperazin-1-yl-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone (CID 82511042) is 1-piperazin-1-yl-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone.
What is the SMILES notation for 1-piperazin-1-yl-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone?
The canonical SMILES for 1-piperazin-1-yl-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone is CC(C)c1nc(CC(=O)N2CCNCC2)no1.
What is the InChIKey of 1-piperazin-1-yl-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone?
The InChIKey is SRCXMAFBACHDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8(2)11-13-9(14-17-11)7-10(16)15-5-3-12-4-6-15/h8,12H,3-7H2,1-2H3.
What are the key properties of 1-piperazin-1-yl-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone?
1-piperazin-1-yl-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone has a molecular weight of 238.29 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone is sourced from PubChem (CID 82511042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).