3-[2-(5-cyclohexyl-2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole

C15H26N4O — CID 106408900

IUPAC3-[2-(5-cyclohexyl-2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
SMILESCC1CNC(C2CCCCC2)CN1CCc1ncon1
InChIInChI=1S/C15H26N4O/c1-12-9-16-14(13-5-3-2-4-6-13)10-19(12)8-7-15-17-11-20-18-15/h11-14,16H,2-10H2,1H3
InChIKeyJWHQPBMPCQYBAI-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.85
Rot. Bonds4

About 3-[2-(5-cyclohexyl-2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole

3-[2-(5-cyclohexyl-2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole (PubChem CID 106408900) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[2-(5-cyclohexyl-2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(5-cyclohexyl-2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
PubChem CID106408900
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-[2-(5-cyclohexyl-2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
SMILESCC1CNC(C2CCCCC2)CN1CCc1ncon1
InChIInChI=1S/C15H26N4O/c1-12-9-16-14(13-5-3-2-4-6-13)10-19(12)8-7-15-17-11-20-18-15/h11-14,16H,2-10H2,1H3
InChIKeyJWHQPBMPCQYBAI-UHFFFAOYSA-N
XLogP1.85
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-cyclohexyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 106408641
3-[2-(3-cyclopropyl-1,4-diazepan-1-yl)ethyl]-1,2,4-oxadiazole
CID 114185214
2-[2-(5-cyclopropyl-2-methylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64942156
2-[(5-cyclohexyl-2-methylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 106376686
5-cyclohexyl-1-(3-methoxypropyl)-2-methylpiperazine
CID 64860169
3-[(3-cyclohexyl-1,4-diazepan-1-yl)methyl]-1,2,4-oxadiazole
CID 106408595
1-[2-(cyclopenten-1-yl)ethyl]-5-cyclopropyl-2-methylpiperazine
CID 114153752
5-cyclohexyl-2-methyl-1-(2,2,2-trifluoroethyl)piperazine
CID 64860745
3-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 106408917
5-cyclohexyl-2-methyl-1-(2-methylpentyl)piperazine
CID 64860363
5-cyclopropyl-1-[2-(2,4-dichlorophenyl)ethyl]-2-methylpiperazine
CID 64933546
4-[(5-cyclohexyl-2-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one
CID 106383596

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-cyclohexyl-2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(5-cyclohexyl-2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole (CID 106408900) is 3-[2-(5-cyclohexyl-2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(5-cyclohexyl-2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(5-cyclohexyl-2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole is CC1CNC(C2CCCCC2)CN1CCc1ncon1.
What is the InChIKey of 3-[2-(5-cyclohexyl-2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole?
The InChIKey is JWHQPBMPCQYBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-12-9-16-14(13-5-3-2-4-6-13)10-19(12)8-7-15-17-11-20-18-15/h11-14,16H,2-10H2,1H3.
What are the key properties of 3-[2-(5-cyclohexyl-2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole?
3-[2-(5-cyclohexyl-2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole has a molecular weight of 278.40 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-cyclohexyl-2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 106408900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).