3-(1,3,4-oxadiazol-2-yl)-1-piperazin-1-ylpropan-1-one

C9H14N4O2 — CID 82508043

IUPAC3-(1,3,4-oxadiazol-2-yl)-1-piperazin-1-ylpropan-1-one
SMILESO=C(CCc1nnco1)N1CCNCC1
InChIInChI=1S/C9H14N4O2/c14-9(13-5-3-10-4-6-13)2-1-8-12-11-7-15-8/h7,10H,1-6H2
InChIKeyPGXYAHGSLNUFML-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.57
Rot. Bonds3

About 3-(1,3,4-oxadiazol-2-yl)-1-piperazin-1-ylpropan-1-one

3-(1,3,4-oxadiazol-2-yl)-1-piperazin-1-ylpropan-1-one (PubChem CID 82508043) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 3-(1,3,4-oxadiazol-2-yl)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(1,3,4-oxadiazol-2-yl)-1-piperazin-1-ylpropan-1-one
PubChem CID82508043
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name3-(1,3,4-oxadiazol-2-yl)-1-piperazin-1-ylpropan-1-one
SMILESO=C(CCc1nnco1)N1CCNCC1
InChIInChI=1S/C9H14N4O2/c14-9(13-5-3-10-4-6-13)2-1-8-12-11-7-15-8/h7,10H,1-6H2
InChIKeyPGXYAHGSLNUFML-UHFFFAOYSA-N
XLogP-0.57
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-piperazin-1-ylethanone
CID 82508040
3-(2-hydroxyphenyl)-1-piperazin-1-ylpropan-1-one;methane
CID 143559381
3-(2,6-dimethylphenyl)-1-piperazin-1-ylpropan-1-one
CID 110833337
1,10-di(piperazin-1-yl)decane-1,10-dione
CID 19981244
1-(1,4-diazepan-1-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 119414024
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(1,4-diazepan-1-yl)propan-1-one
CID 119414725
3-(2,4-dichlorophenyl)-1-piperazin-1-ylpropan-1-one
CID 82134878
3-(5-methyltetrazol-1-yl)-1-piperazin-1-ylpropan-1-one
CID 82509687
3-(2-chloro-4,5-dimethylphenyl)-1-piperazin-1-ylpropan-1-one
CID 83931483
3-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylpropan-1-one
CID 95477399
3-(3-amino-1H-1,2,4-triazol-5-yl)-1-piperazin-1-ylpropan-1-one
CID 82509691
3-(1,3-benzodioxol-4-yl)-1-piperazin-1-ylpropan-1-one
CID 110833385

Frequently Asked Questions

What is the IUPAC name of 3-(1,3,4-oxadiazol-2-yl)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-(1,3,4-oxadiazol-2-yl)-1-piperazin-1-ylpropan-1-one (CID 82508043) is 3-(1,3,4-oxadiazol-2-yl)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-(1,3,4-oxadiazol-2-yl)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-(1,3,4-oxadiazol-2-yl)-1-piperazin-1-ylpropan-1-one is O=C(CCc1nnco1)N1CCNCC1.
What is the InChIKey of 3-(1,3,4-oxadiazol-2-yl)-1-piperazin-1-ylpropan-1-one?
The InChIKey is PGXYAHGSLNUFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c14-9(13-5-3-10-4-6-13)2-1-8-12-11-7-15-8/h7,10H,1-6H2.
What are the key properties of 3-(1,3,4-oxadiazol-2-yl)-1-piperazin-1-ylpropan-1-one?
3-(1,3,4-oxadiazol-2-yl)-1-piperazin-1-ylpropan-1-one has a molecular weight of 210.24 g/mol, XLogP of -0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3,4-oxadiazol-2-yl)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82508043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).