3-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]-5-methyl-1,2,4-oxadiazole

C14H23N3O3 — CID 138808586

IUPAC3-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(C2CCN(CCC3COCCO3)CC2)no1
InChIInChI=1S/C14H23N3O3/c1-11-15-14(16-20-11)12-2-5-17(6-3-12)7-4-13-10-18-8-9-19-13/h12-13H,2-10H2,1H3
InChIKeyAZJZBRGVDBNDLV-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.36
Rot. Bonds4

About 3-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]-5-methyl-1,2,4-oxadiazole

3-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]-5-methyl-1,2,4-oxadiazole (PubChem CID 138808586) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]-5-methyl-1,2,4-oxadiazole
PubChem CID138808586
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name3-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(C2CCN(CCC3COCCO3)CC2)no1
InChIInChI=1S/C14H23N3O3/c1-11-15-14(16-20-11)12-2-5-17(6-3-12)7-4-13-10-18-8-9-19-13/h12-13H,2-10H2,1H3
InChIKeyAZJZBRGVDBNDLV-UHFFFAOYSA-N
XLogP1.36
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-methoxyphenyl)piperidine
CID 138807451
1-[2-(1,4-dioxan-2-yl)ethyl]-4-[(4-methoxyphenoxy)methyl]piperidine
CID 138807936
3-cyclopentyl-5-methyl-1,2,4-oxadiazole
CID 90327686
4-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 130694254
1-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one
CID 138808108
[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 138807507
2-[4-[2-(1,4-dioxan-2-yl)ethyl]piperazin-1-yl]pyrimidine
CID 138809318
1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-fluorophenoxy)piperidine
CID 138808176
1-(2,3-dimethylphenyl)-4-[2-(1,4-dioxan-2-yl)ethyl]piperazine
CID 138806981
[(2R)-1,2-dimethylpiperidin-2-yl]-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95827488
5-[1-(2-methoxyethyl)piperidin-4-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97456630
1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-phenylethyl)piperazine
CID 138806270

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]-5-methyl-1,2,4-oxadiazole (CID 138808586) is 3-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]-5-methyl-1,2,4-oxadiazole is Cc1nc(C2CCN(CCC3COCCO3)CC2)no1.
What is the InChIKey of 3-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is AZJZBRGVDBNDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-11-15-14(16-20-11)12-2-5-17(6-3-12)7-4-13-10-18-8-9-19-13/h12-13H,2-10H2,1H3.
What are the key properties of 3-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]-5-methyl-1,2,4-oxadiazole?
3-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 281.36 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 138808586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).