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

C18H32N6O2 — CID 120982846

IUPAC3-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
SMILESCC(C)(C)c1nc(CN2CCN(CCC(=O)N3CCNCC3)CC2)no1
InChIInChI=1S/C18H32N6O2/c1-18(2,3)17-20-15(21-26-17)14-23-12-10-22(11-13-23)7-4-16(25)24-8-5-19-6-9-24/h19H,4-14H2,1-3H3
InChIKeyXGPDHNGNQMCNCR-UHFFFAOYSA-N
MW364.49 g/mol
LogP0.31
Rot. Bonds5

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

3-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one (PubChem CID 120982846) has the molecular formula C18H32N6O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 3-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
PubChem CID120982846
Molecular FormulaC18H32N6O2
Molecular Weight364.49 g/mol
Exact Mass364.26
IUPAC Name3-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
SMILESCC(C)(C)c1nc(CN2CCN(CCC(=O)N3CCNCC3)CC2)no1
InChIInChI=1S/C18H32N6O2/c1-18(2,3)17-20-15(21-26-17)14-23-12-10-22(11-13-23)7-4-16(25)24-8-5-19-6-9-24/h19H,4-14H2,1-3H3
InChIKeyXGPDHNGNQMCNCR-UHFFFAOYSA-N
XLogP0.31
TPSA77.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one (CID 120982846) is 3-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one is CC(C)(C)c1nc(CN2CCN(CCC(=O)N3CCNCC3)CC2)no1.
What is the InChIKey of 3-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one?
The InChIKey is XGPDHNGNQMCNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6O2/c1-18(2,3)17-20-15(21-26-17)14-23-12-10-22(11-13-23)7-4-16(25)24-8-5-19-6-9-24/h19H,4-14H2,1-3H3.
What are the key properties of 3-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one?
3-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one has a molecular weight of 364.49 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 120982846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).