2,2-dimethyl-1-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]propan-1-one

C13H20N4O3 — CID 110395984

IUPAC2,2-dimethyl-1-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]propan-1-one
SMILESCc1nnc(C(=O)N2CCN(C(=O)C(C)(C)C)CC2)o1
InChIInChI=1S/C13H20N4O3/c1-9-14-15-10(20-9)11(18)16-5-7-17(8-6-16)12(19)13(2,3)4/h5-8H2,1-4H3
InChIKeyIBSQQEVRDADWJN-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.71
Rot. Bonds1

About 2,2-dimethyl-1-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]propan-1-one

2,2-dimethyl-1-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]propan-1-one (PubChem CID 110395984) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]propan-1-one
PubChem CID110395984
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name2,2-dimethyl-1-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]propan-1-one
SMILESCc1nnc(C(=O)N2CCN(C(=O)C(C)(C)C)CC2)o1
InChIInChI=1S/C13H20N4O3/c1-9-14-15-10(20-9)11(18)16-5-7-17(8-6-16)12(19)13(2,3)4/h5-8H2,1-4H3
InChIKeyIBSQQEVRDADWJN-UHFFFAOYSA-N
XLogP0.71
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,2-dimethyl-1-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

[4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
CID 110392830
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
CID 110392836
4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)-N-propylpiperazine-1-carboxamide
CID 110396060
[4-(4-tert-butylphenyl)piperidin-1-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
CID 154798533
[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
CID 166266987
4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)-N-phenylpiperazine-1-carboxamide
CID 110396026
[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 110395983
2,2-dimethyl-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 110328421
2-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile
CID 110396125
[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
CID 110396106
1-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 39492865
2,2-dimethyl-1-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]propan-1-one
CID 134021630

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]propan-1-one (CID 110395984) is 2,2-dimethyl-1-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]propan-1-one is Cc1nnc(C(=O)N2CCN(C(=O)C(C)(C)C)CC2)o1.
What is the InChIKey of 2,2-dimethyl-1-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is IBSQQEVRDADWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-9-14-15-10(20-9)11(18)16-5-7-17(8-6-16)12(19)13(2,3)4/h5-8H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]propan-1-one?
2,2-dimethyl-1-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 280.33 g/mol, XLogP of 0.71, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110395984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).