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

C17H29N3O — CID 79609656

IUPAC5-(piperidin-4-ylmethyl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazole
SMILESCC(C)C1CCC(c2noc(CC3CCNCC3)n2)CC1
InChIInChI=1S/C17H29N3O/c1-12(2)14-3-5-15(6-4-14)17-19-16(21-20-17)11-13-7-9-18-10-8-13/h12-15,18H,3-11H2,1-2H3
InChIKeyXUQFMGAPNVPIEV-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.54
Rot. Bonds4

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

5-(piperidin-4-ylmethyl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazole (PubChem CID 79609656) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 5-(piperidin-4-ylmethyl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(piperidin-4-ylmethyl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazole
PubChem CID79609656
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name5-(piperidin-4-ylmethyl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazole
SMILESCC(C)C1CCC(c2noc(CC3CCNCC3)n2)CC1
InChIInChI=1S/C17H29N3O/c1-12(2)14-3-5-15(6-4-14)17-19-16(21-20-17)11-13-7-9-18-10-8-13/h12-15,18H,3-11H2,1-2H3
InChIKeyXUQFMGAPNVPIEV-UHFFFAOYSA-N
XLogP3.54
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(piperidin-4-ylmethyl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclopropyl-5-[[(3S)-pyrrolidin-3-yl]methyl]-1,2,4-oxadiazole
CID 96753425
3-(oxan-4-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 126802196
2-[[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 66435398
3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 115997587
5-(2-methylpropyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
CID 86277244
1-cyclopropyl-2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65401397
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 79717184
N-methyl-2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65422879
N-[[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 65424237
5-(azepan-4-ylmethyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120842324
5-[(1-ethylpyrrolidin-3-yl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole
CID 115077313
3-(4-methylcyclohexyl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 62690301

Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-4-ylmethyl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(piperidin-4-ylmethyl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazole (CID 79609656) is 5-(piperidin-4-ylmethyl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(piperidin-4-ylmethyl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(piperidin-4-ylmethyl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazole is CC(C)C1CCC(c2noc(CC3CCNCC3)n2)CC1.
What is the InChIKey of 5-(piperidin-4-ylmethyl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazole?
The InChIKey is XUQFMGAPNVPIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-12(2)14-3-5-15(6-4-14)17-19-16(21-20-17)11-13-7-9-18-10-8-13/h12-15,18H,3-11H2,1-2H3.
What are the key properties of 5-(piperidin-4-ylmethyl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazole?
5-(piperidin-4-ylmethyl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazole has a molecular weight of 291.44 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-4-ylmethyl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazole is sourced from PubChem (CID 79609656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).