[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate

C19H31N3O4 — CID 55665358

IUPAC[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
SMILESCC1CCCC(C)N1C(=O)COC(=O)CCCc1nc(C(C)(C)C)no1
InChIInChI=1S/C19H31N3O4/c1-13-8-6-9-14(2)22(13)16(23)12-25-17(24)11-7-10-15-20-18(21-26-15)19(3,4)5/h13-14H,6-12H2,1-5H3
InChIKeyVYGZHNNJROCOGJ-UHFFFAOYSA-N
MW365.47 g/mol
LogP3.02
Rot. Bonds6

About [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate

[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate (PubChem CID 55665358) has the molecular formula C19H31N3O4 and a molecular weight of 365.47 g/mol. Its IUPAC name is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate.

Molecular Properties

Compound Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
PubChem CID55665358
Molecular FormulaC19H31N3O4
Molecular Weight365.47 g/mol
Exact Mass365.23
IUPAC Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
SMILESCC1CCCC(C)N1C(=O)COC(=O)CCCc1nc(C(C)(C)C)no1
InChIInChI=1S/C19H31N3O4/c1-13-8-6-9-14(2)22(13)16(23)12-25-17(24)11-7-10-15-20-18(21-26-15)19(3,4)5/h13-14H,6-12H2,1-5H3
InChIKeyVYGZHNNJROCOGJ-UHFFFAOYSA-N
XLogP3.02
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(aminomethyl)pyrrolidin-1-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butan-1-one;hydrochloride
CID 119634070
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]butan-1-one
CID 146125776
[2-(4-acetamidophenyl)-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
CID 55665755
[2-(4-butylphenyl)-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
CID 55998284
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[3-(methylamino)piperidin-1-yl]butan-1-one
CID 119492880
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[(2R,4R)-2-cyclohexyl-4-hydroxypyrrolidin-1-yl]butan-1-one
CID 97010128
[2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
CID 55999622
[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
CID 55999350
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
CID 55999755
[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
CID 55999216
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]butan-1-one
CID 56779253
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(2-pyridin-4-ylazepan-1-yl)butan-1-one
CID 55764637

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate?
The IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate (CID 55665358) is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate.
What is the SMILES notation for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate?
The canonical SMILES for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate is CC1CCCC(C)N1C(=O)COC(=O)CCCc1nc(C(C)(C)C)no1.
What is the InChIKey of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate?
The InChIKey is VYGZHNNJROCOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O4/c1-13-8-6-9-14(2)22(13)16(23)12-25-17(24)11-7-10-15-20-18(21-26-15)19(3,4)5/h13-14H,6-12H2,1-5H3.
What are the key properties of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate?
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate has a molecular weight of 365.47 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate is sourced from PubChem (CID 55665358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).