5-(2-piperidin-4-ylethyl)-3-propan-2-yl-1,2,4-oxadiazole

C12H21N3O — CID 62216698

IUPAC5-(2-piperidin-4-ylethyl)-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(CCC2CCNCC2)n1
InChIInChI=1S/C12H21N3O/c1-9(2)12-14-11(16-15-12)4-3-10-5-7-13-8-6-10/h9-10,13H,3-8H2,1-2H3
InChIKeyNHDONMQJCGEKEE-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.13
Rot. Bonds4

About 5-(2-piperidin-4-ylethyl)-3-propan-2-yl-1,2,4-oxadiazole

5-(2-piperidin-4-ylethyl)-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 62216698) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-(2-piperidin-4-ylethyl)-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-piperidin-4-ylethyl)-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID62216698
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name5-(2-piperidin-4-ylethyl)-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(CCC2CCNCC2)n1
InChIInChI=1S/C12H21N3O/c1-9(2)12-14-11(16-15-12)4-3-10-5-7-13-8-6-10/h9-10,13H,3-8H2,1-2H3
InChIKeyNHDONMQJCGEKEE-UHFFFAOYSA-N
XLogP2.13
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-piperidin-4-ylethyl)-3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 65134669
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 119535454
3-cycloheptyl-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 65389519
3-[cyclohexyl(methoxy)methyl]-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole
CID 116743400
N,N-diethyl-2-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 62216530
3-(ethylsulfanylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 65130592
3-(methylsulfonylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 62475251
5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole
CID 129255475
N-methyl-2-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]acetamide;hydrochloride
CID 120841860
ethyl 5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole-3-carboxylate
CID 112631472
3-(4-ethylphenyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 62216212
3-(3-methoxypentan-3-yl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole
CID 116741082

Frequently Asked Questions

What is the IUPAC name of 5-(2-piperidin-4-ylethyl)-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-piperidin-4-ylethyl)-3-propan-2-yl-1,2,4-oxadiazole (CID 62216698) is 5-(2-piperidin-4-ylethyl)-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-piperidin-4-ylethyl)-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-piperidin-4-ylethyl)-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc(CCC2CCNCC2)n1.
What is the InChIKey of 5-(2-piperidin-4-ylethyl)-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is NHDONMQJCGEKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(2)12-14-11(16-15-12)4-3-10-5-7-13-8-6-10/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 5-(2-piperidin-4-ylethyl)-3-propan-2-yl-1,2,4-oxadiazole?
5-(2-piperidin-4-ylethyl)-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 223.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-piperidin-4-ylethyl)-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 62216698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).