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

C14H24N4O — CID 115076999

IUPAC3-piperidin-3-yl-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCC(C)N1CCC(c2nc(C3CCCNC3)no2)C1
InChIInChI=1S/C14H24N4O/c1-10(2)18-7-5-12(9-18)14-16-13(17-19-14)11-4-3-6-15-8-11/h10-12,15H,3-9H2,1-2H3
InChIKeyVENYQABRSDEHDE-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.73
Rot. Bonds3

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

3-piperidin-3-yl-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole (PubChem CID 115076999) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-piperidin-3-yl-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-piperidin-3-yl-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
PubChem CID115076999
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name3-piperidin-3-yl-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCC(C)N1CCC(c2nc(C3CCCNC3)no2)C1
InChIInChI=1S/C14H24N4O/c1-10(2)18-7-5-12(9-18)14-16-13(17-19-14)11-4-3-6-15-8-11/h10-12,15H,3-9H2,1-2H3
InChIKeyVENYQABRSDEHDE-UHFFFAOYSA-N
XLogP1.73
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)-4-propan-2-ylmorpholine
CID 79657123
5-(1-methylpiperidin-3-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 115077691
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-cyclopropyl-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 94939518
5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 68965695
5-(1-methylpyrrolidin-3-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115077005
3-cyclobutyl-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96818006
3-cyclobutyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96818005
3-cyclopentyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 93357413
2-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-4-propan-2-ylmorpholine
CID 79657282
5-(2-methylcyclopropyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63026812

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-piperidin-3-yl-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole (CID 115076999) is 3-piperidin-3-yl-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-piperidin-3-yl-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-piperidin-3-yl-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole is CC(C)N1CCC(c2nc(C3CCCNC3)no2)C1.
What is the InChIKey of 3-piperidin-3-yl-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is VENYQABRSDEHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10(2)18-7-5-12(9-18)14-16-13(17-19-14)11-4-3-6-15-8-11/h10-12,15H,3-9H2,1-2H3.
What are the key properties of 3-piperidin-3-yl-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole?
3-piperidin-3-yl-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 264.37 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 115076999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).