3-tert-butyl-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,2,4-oxadiazol-5-one

C14H23N3O3 — CID 146082726

IUPAC3-tert-butyl-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,2,4-oxadiazol-5-one
SMILESCC1CCCN(C(=O)Cn2c(C(C)(C)C)noc2=O)C1
InChIInChI=1S/C14H23N3O3/c1-10-6-5-7-16(8-10)11(18)9-17-12(14(2,3)4)15-20-13(17)19/h10H,5-9H2,1-4H3
InChIKeyWDIRXVJBORQPSS-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.39
Rot. Bonds2

About 3-tert-butyl-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,2,4-oxadiazol-5-one

3-tert-butyl-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,2,4-oxadiazol-5-one (PubChem CID 146082726) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-tert-butyl-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-tert-butyl-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,2,4-oxadiazol-5-one
PubChem CID146082726
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name3-tert-butyl-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,2,4-oxadiazol-5-one
SMILESCC1CCCN(C(=O)Cn2c(C(C)(C)C)noc2=O)C1
InChIInChI=1S/C14H23N3O3/c1-10-6-5-7-16(8-10)11(18)9-17-12(14(2,3)4)15-20-13(17)19/h10H,5-9H2,1-4H3
InChIKeyWDIRXVJBORQPSS-UHFFFAOYSA-N
XLogP1.39
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-Tert-butyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1,2,4-oxadiazol-5-one
CID 146075504
4-[2-(2-Methylpiperidin-1-yl)-2-oxoethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one
CID 146082801
4-[2-(4-Acetylpiperazin-1-yl)-2-oxoethyl]-3-tert-butyl-1,2,4-oxadiazol-5-one
CID 146082887
4-(2-Piperidin-1-ylethyl)-3-propan-2-yl-1,2,4-oxadiazol-5-one
CID 167751495
3-Tert-butyl-4-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]methyl]-1,2,4-oxadiazol-5-one
CID 167948581

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-tert-butyl-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,2,4-oxadiazol-5-one (CID 146082726) is 3-tert-butyl-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-tert-butyl-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-tert-butyl-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,2,4-oxadiazol-5-one is CC1CCCN(C(=O)Cn2c(C(C)(C)C)noc2=O)C1.
What is the InChIKey of 3-tert-butyl-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,2,4-oxadiazol-5-one?
The InChIKey is WDIRXVJBORQPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-10-6-5-7-16(8-10)11(18)9-17-12(14(2,3)4)15-20-13(17)19/h10H,5-9H2,1-4H3.
What are the key properties of 3-tert-butyl-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,2,4-oxadiazol-5-one?
3-tert-butyl-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,2,4-oxadiazol-5-one has a molecular weight of 281.36 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 146082726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).