4-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one

C14H20N6O2 — CID 146069840

IUPAC4-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
SMILESCc1noc(CC2C(=O)NCCN2Cc2cn(C)nc2C)n1
InChIInChI=1S/C14H20N6O2/c1-9-11(7-19(3)17-9)8-20-5-4-15-14(21)12(20)6-13-16-10(2)18-22-13/h7,12H,4-6,8H2,1-3H3,(H,15,21)
InChIKeyYJACAALLAMTIAF-UHFFFAOYSA-N
MW304.35 g/mol
LogP-0.04
Rot. Bonds4

About 4-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one

4-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one (PubChem CID 146069840) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
PubChem CID146069840
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Name4-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
SMILESCc1noc(CC2C(=O)NCCN2Cc2cn(C)nc2C)n1
InChIInChI=1S/C14H20N6O2/c1-9-11(7-19(3)17-9)8-20-5-4-15-14(21)12(20)6-13-16-10(2)18-22-13/h7,12H,4-6,8H2,1-3H3,(H,15,21)
InChIKeyYJACAALLAMTIAF-UHFFFAOYSA-N
XLogP-0.04
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one?
The IUPAC name of 4-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one (CID 146069840) is 4-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one.
What is the SMILES notation for 4-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one?
The canonical SMILES for 4-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one is Cc1noc(CC2C(=O)NCCN2Cc2cn(C)nc2C)n1.
What is the InChIKey of 4-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one?
The InChIKey is YJACAALLAMTIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-9-11(7-19(3)17-9)8-20-5-4-15-14(21)12(20)6-13-16-10(2)18-22-13/h7,12H,4-6,8H2,1-3H3,(H,15,21).
What are the key properties of 4-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one?
4-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one has a molecular weight of 304.35 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one is sourced from PubChem (CID 146069840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).