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

C13H22N4O — CID 115077691

IUPAC5-(1-methylpiperidin-3-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
SMILESCN1CCCC(c2nc(C3CCCNC3)no2)C1
InChIInChI=1S/C13H22N4O/c1-17-7-3-5-11(9-17)13-15-12(16-18-13)10-4-2-6-14-8-10/h10-11,14H,2-9H2,1H3
InChIKeyQEYLHIFMLKQQNW-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.35
Rot. Bonds2

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

5-(1-methylpiperidin-3-yl)-3-piperidin-3-yl-1,2,4-oxadiazole (PubChem CID 115077691) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 5-(1-methylpiperidin-3-yl)-3-piperidin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-methylpiperidin-3-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
PubChem CID115077691
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name5-(1-methylpiperidin-3-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
SMILESCN1CCCC(c2nc(C3CCCNC3)no2)C1
InChIInChI=1S/C13H22N4O/c1-17-7-3-5-11(9-17)13-15-12(16-18-13)10-4-2-6-14-8-10/h10-11,14H,2-9H2,1H3
InChIKeyQEYLHIFMLKQQNW-UHFFFAOYSA-N
XLogP1.35
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-methylpyrrolidin-3-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115077005
3,5-di(piperidin-3-yl)-1,2,4-oxadiazole
CID 115077690
3-piperidin-3-yl-5-(1-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 115076999
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
4-methyl-2-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 79077245
5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 68965695
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
CID 157221926
CID 157221926
CID 158780682
CID 158780682

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpiperidin-3-yl)-3-piperidin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(1-methylpiperidin-3-yl)-3-piperidin-3-yl-1,2,4-oxadiazole (CID 115077691) is 5-(1-methylpiperidin-3-yl)-3-piperidin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-methylpiperidin-3-yl)-3-piperidin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-methylpiperidin-3-yl)-3-piperidin-3-yl-1,2,4-oxadiazole is CN1CCCC(c2nc(C3CCCNC3)no2)C1.
What is the InChIKey of 5-(1-methylpiperidin-3-yl)-3-piperidin-3-yl-1,2,4-oxadiazole?
The InChIKey is QEYLHIFMLKQQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-17-7-3-5-11(9-17)13-15-12(16-18-13)10-4-2-6-14-8-10/h10-11,14H,2-9H2,1H3.
What are the key properties of 5-(1-methylpiperidin-3-yl)-3-piperidin-3-yl-1,2,4-oxadiazole?
5-(1-methylpiperidin-3-yl)-3-piperidin-3-yl-1,2,4-oxadiazole has a molecular weight of 250.35 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpiperidin-3-yl)-3-piperidin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 115077691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).