5-(2,2-dimethylcyclohexyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole

C16H27N3O — CID 107182887

IUPAC5-(2,2-dimethylcyclohexyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
SMILESCC1(C)CCCCC1c1nc(CC2CCCNC2)no1
InChIInChI=1S/C16H27N3O/c1-16(2)8-4-3-7-13(16)15-18-14(19-20-15)10-12-6-5-9-17-11-12/h12-13,17H,3-11H2,1-2H3
InChIKeyKODQCPNDDVGECH-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.30
Rot. Bonds3

About 5-(2,2-dimethylcyclohexyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole

5-(2,2-dimethylcyclohexyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole (PubChem CID 107182887) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 5-(2,2-dimethylcyclohexyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,2-dimethylcyclohexyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
PubChem CID107182887
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name5-(2,2-dimethylcyclohexyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
SMILESCC1(C)CCCCC1c1nc(CC2CCCNC2)no1
InChIInChI=1S/C16H27N3O/c1-16(2)8-4-3-7-13(16)15-18-14(19-20-15)10-12-6-5-9-17-11-12/h12-13,17H,3-11H2,1-2H3
InChIKeyKODQCPNDDVGECH-UHFFFAOYSA-N
XLogP3.30
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(oxolan-3-yl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 55175292
5-pyrrolidin-2-yl-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole
CID 115080912
1-[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63221785
N-methyl-1-[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081192
3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxylic acid
CID 115081751
5-pentan-2-yl-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 63221554
5-(piperidin-3-ylmethyl)-3-propyl-1,2,4-oxadiazole
CID 62689973
N-[[5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 107182943
5-(oxan-4-yl)-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole
CID 86820422
3-(piperidin-3-ylmethyl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 63221731
5-(2-fluoro-3-methylphenyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 81477680
3-[(1-ethylpiperidin-3-yl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole
CID 115080750

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylcyclohexyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2,2-dimethylcyclohexyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole (CID 107182887) is 5-(2,2-dimethylcyclohexyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,2-dimethylcyclohexyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,2-dimethylcyclohexyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole is CC1(C)CCCCC1c1nc(CC2CCCNC2)no1.
What is the InChIKey of 5-(2,2-dimethylcyclohexyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is KODQCPNDDVGECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-16(2)8-4-3-7-13(16)15-18-14(19-20-15)10-12-6-5-9-17-11-12/h12-13,17H,3-11H2,1-2H3.
What are the key properties of 5-(2,2-dimethylcyclohexyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole?
5-(2,2-dimethylcyclohexyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 277.41 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylcyclohexyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 107182887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).