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

C12H20N4O — CID 104915206

IUPAC3-piperidin-1-yl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
SMILESC1CCN(c2noc([C@@H]3CCCCN3)n2)CC1
InChIInChI=1S/C12H20N4O/c1-4-8-16(9-5-1)12-14-11(17-15-12)10-6-2-3-7-13-10/h10,13H,1-9H2/t10-/m0/s1
InChIKeyDIUZLJUJUDBDSH-JTQLQIEISA-N
MW236.32 g/mol
LogP1.87
Rot. Bonds2

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

3-piperidin-1-yl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole (PubChem CID 104915206) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-piperidin-1-yl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-piperidin-1-yl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
PubChem CID104915206
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-piperidin-1-yl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
SMILESC1CCN(c2noc([C@@H]3CCCCN3)n2)CC1
InChIInChI=1S/C12H20N4O/c1-4-8-16(9-5-1)12-14-11(17-15-12)10-6-2-3-7-13-10/h10,13H,1-9H2/t10-/m0/s1
InChIKeyDIUZLJUJUDBDSH-JTQLQIEISA-N
XLogP1.87
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(azepan-2-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazole
CID 116807687
3-(azepan-1-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole
CID 116808059
3-(azepan-1-yl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743714
5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole
CID 116806784
3-cyclobutyl-5-piperidin-2-yl-1,2,4-oxadiazole
CID 64982229
5-piperidin-2-yl-1,2,4-oxadiazole-3-carbaldehyde
CID 115077969
3-cyclobutyl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride
CID 69188046
5-(azocan-2-yl)-3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazole
CID 114239832
3-cyclopentyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93357418
3-piperidin-1-yl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole
CID 116807334
3-(2-methylcyclopropyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915001
3-(cyclopropylmethyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 103832637

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-piperidin-1-yl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole (CID 104915206) is 3-piperidin-1-yl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-piperidin-1-yl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-piperidin-1-yl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole is C1CCN(c2noc([C@@H]3CCCCN3)n2)CC1.
What is the InChIKey of 3-piperidin-1-yl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is DIUZLJUJUDBDSH-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N4O/c1-4-8-16(9-5-1)12-14-11(17-15-12)10-6-2-3-7-13-10/h10,13H,1-9H2/t10-/m0/s1.
What are the key properties of 3-piperidin-1-yl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole?
3-piperidin-1-yl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 236.32 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 104915206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).