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

C14H24N4O — CID 116807301

IUPAC3-piperidin-1-yl-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole
SMILESC1CCN(c2noc(CCC3CCCNC3)n2)CC1
InChIInChI=1S/C14H24N4O/c1-2-9-18(10-3-1)14-16-13(19-17-14)7-6-12-5-4-8-15-11-12/h12,15H,1-11H2
InChIKeyNXCMCNCPNAQYQX-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.99
Rot. Bonds4

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

3-piperidin-1-yl-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole (PubChem CID 116807301) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-piperidin-1-yl-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-piperidin-1-yl-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole
PubChem CID116807301
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name3-piperidin-1-yl-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole
SMILESC1CCN(c2noc(CCC3CCCNC3)n2)CC1
InChIInChI=1S/C14H24N4O/c1-2-9-18(10-3-1)14-16-13(19-17-14)7-6-12-5-4-8-15-11-12/h12,15H,1-11H2
InChIKeyNXCMCNCPNAQYQX-UHFFFAOYSA-N
XLogP1.99
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazol-3-amine
CID 65419210
3-(methylsulfanylmethyl)-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole
CID 62691493
4-[2-[(3R)-piperidin-3-yl]ethyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 92548269
4-(2-piperidin-3-ylethyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 46958032
3-(3-methylfuran-2-yl)-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole
CID 104797840
[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 83618709
3-(4-methyl-3-pyridinyl)-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole
CID 114876890
N-[2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 116808047
N-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 116807158
5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole
CID 116806534
4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 116808837
3-[cyclohexyl(methoxy)methyl]-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole
CID 116743400

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-piperidin-1-yl-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole (CID 116807301) is 3-piperidin-1-yl-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-piperidin-1-yl-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-piperidin-1-yl-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole is C1CCN(c2noc(CCC3CCCNC3)n2)CC1.
What is the InChIKey of 3-piperidin-1-yl-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole?
The InChIKey is NXCMCNCPNAQYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-2-9-18(10-3-1)14-16-13(19-17-14)7-6-12-5-4-8-15-11-12/h12,15H,1-11H2.
What are the key properties of 3-piperidin-1-yl-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole?
3-piperidin-1-yl-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole has a molecular weight of 264.37 g/mol, XLogP of 1.99, 4 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-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 116807301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).