3-[(2,5,5-triethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole

C13H24N4O — CID 114185177

IUPAC3-[(2,5,5-triethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCCC1CNC(CC)(CC)CN1Cc1ncon1
InChIInChI=1S/C13H24N4O/c1-4-11-7-15-13(5-2,6-3)9-17(11)8-12-14-10-18-16-12/h10-11,15H,4-9H2,1-3H3
InChIKeyPDBLESHNNORCLO-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.81
Rot. Bonds5

About 3-[(2,5,5-triethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole

3-[(2,5,5-triethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 114185177) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-[(2,5,5-triethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2,5,5-triethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID114185177
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name3-[(2,5,5-triethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCCC1CNC(CC)(CC)CN1Cc1ncon1
InChIInChI=1S/C13H24N4O/c1-4-11-7-15-13(5-2,6-3)9-17(11)8-12-14-10-18-16-12/h10-11,15H,4-9H2,1-3H3
InChIKeyPDBLESHNNORCLO-UHFFFAOYSA-N
XLogP1.81
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-ethyl-5,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 106408622
2,5,5-triethyl-1-(pyridin-2-ylmethyl)piperazine
CID 64861194
2,5,5-triethyl-1-[(1-methylimidazol-2-yl)methyl]piperazine
CID 64940812
2-[(5,5-diethyl-2-propylpiperazin-1-yl)methyl]pyrimidine
CID 64859659
1-[(2,6-difluorophenyl)methyl]-2,5,5-triethylpiperazine
CID 114934626
2,5,5-triethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 64947930
2,5,5-triethyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine
CID 114957678
2,5,5-triethyl-1-[(6-methoxy-2-pyridinyl)methyl]piperazine
CID 64861386
3-[(5,5-diethyl-2-methylpiperazin-1-yl)methyl]-1,2-oxazole
CID 81173577
2,5,5-triethyl-1-methylpiperazine
CID 64859654
1-[(2-chloro-4-methylphenyl)methyl]-2,5,5-triethylpiperazine
CID 106870391
3-[[(2S)-2-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 82756104

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5,5-triethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(2,5,5-triethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (CID 114185177) is 3-[(2,5,5-triethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2,5,5-triethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2,5,5-triethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is CCC1CNC(CC)(CC)CN1Cc1ncon1.
What is the InChIKey of 3-[(2,5,5-triethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is PDBLESHNNORCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-11-7-15-13(5-2,6-3)9-17(11)8-12-14-10-18-16-12/h10-11,15H,4-9H2,1-3H3.
What are the key properties of 3-[(2,5,5-triethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
3-[(2,5,5-triethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 252.36 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5,5-triethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 114185177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).