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

C12H19N3O — CID 93357413

IUPAC3-cyclopentyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
SMILESC1CCC(c2noc([C@@H]3CCCNC3)n2)C1
InChIInChI=1S/C12H19N3O/c1-2-5-9(4-1)11-14-12(16-15-11)10-6-3-7-13-8-10/h9-10,13H,1-8H2/t10-/m1/s1
InChIKeyZKVBEWWAQDHDQW-SNVBAGLBSA-N
MW221.30 g/mol
LogP2.19
Rot. Bonds2

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

3-cyclopentyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 93357413) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-cyclopentyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopentyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
PubChem CID93357413
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-cyclopentyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
SMILESC1CCC(c2noc([C@@H]3CCCNC3)n2)C1
InChIInChI=1S/C12H19N3O/c1-2-5-9(4-1)11-14-12(16-15-11)10-6-3-7-13-8-10/h9-10,13H,1-8H2/t10-/m1/s1
InChIKeyZKVBEWWAQDHDQW-SNVBAGLBSA-N
XLogP2.19
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclobutyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96818005
3-cyclobutyl-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96818006
3,5-di(piperidin-3-yl)-1,2,4-oxadiazole
CID 115077690
5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63024752
5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 68965695
3-(oxan-4-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 97052951
5-cyclopropyl-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 94939518
3-(4,4-dimethylcyclohexyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911880
3-(3-methylcyclopentyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911889
5-[(3S)-piperidin-3-yl]-3-(thiolan-2-yl)-1,2,4-oxadiazole
CID 104911980
3-(2,3-dihydro-1H-inden-2-yl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911895
5-(2-methylcyclopropyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63026812

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopentyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole (CID 93357413) is 3-cyclopentyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopentyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopentyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole is C1CCC(c2noc([C@@H]3CCCNC3)n2)C1.
What is the InChIKey of 3-cyclopentyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is ZKVBEWWAQDHDQW-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-5-9(4-1)11-14-12(16-15-11)10-6-3-7-13-8-10/h9-10,13H,1-8H2/t10-/m1/s1.
What are the key properties of 3-cyclopentyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole?
3-cyclopentyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 221.30 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 93357413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).