3-(2,2-dimethylpropyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole

C12H21N3O — CID 96690532

IUPAC3-(2,2-dimethylpropyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
SMILESCC(C)(C)Cc1noc([C@@H]2CCCNC2)n1
InChIInChI=1S/C12H21N3O/c1-12(2,3)7-10-14-11(16-15-10)9-5-4-6-13-8-9/h9,13H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyZLFQYHKOPZRJMR-SECBINFHSA-N
MW223.32 g/mol
LogP2.13
Rot. Bonds2

About 3-(2,2-dimethylpropyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole

3-(2,2-dimethylpropyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 96690532) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
PubChem CID96690532
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-(2,2-dimethylpropyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
SMILESCC(C)(C)Cc1noc([C@@H]2CCCNC2)n1
InChIInChI=1S/C12H21N3O/c1-12(2,3)7-10-14-11(16-15-10)9-5-4-6-13-8-9/h9,13H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyZLFQYHKOPZRJMR-SECBINFHSA-N
XLogP2.13
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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

3-ethyl-5-piperidin-3-yl-1,2,4-oxadiazole
CID 19886311
5-[(3R)-piperidin-3-yl]-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
CID 104911956
N-methyl-1-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 115077717
3-(2,2-dimethylpropyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900576
3-[(3,5-dimethylphenyl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole
CID 62594260
3-(2-ethoxyethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 106814721
N,N-diethyl-2-[5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 28526049
5-[(3S)-piperidin-3-yl]-3-(propoxymethyl)-1,2,4-oxadiazole
CID 104911775
3-(2-phenylethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911754
3-(cyclopentylsulfanylmethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911863
5-[(3R)-piperidin-3-yl]-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
CID 103472776
3,5-di(piperidin-3-yl)-1,2,4-oxadiazole
CID 115077690

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2,2-dimethylpropyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole (CID 96690532) is 3-(2,2-dimethylpropyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2,2-dimethylpropyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole is CC(C)(C)Cc1noc([C@@H]2CCCNC2)n1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is ZLFQYHKOPZRJMR-SECBINFHSA-N. The full InChI is InChI=1S/C12H21N3O/c1-12(2,3)7-10-14-11(16-15-10)9-5-4-6-13-8-9/h9,13H,4-8H2,1-3H3/t9-/m1/s1.
What are the key properties of 3-(2,2-dimethylpropyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole?
3-(2,2-dimethylpropyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 223.32 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 96690532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).