tert-butyl 2-methyl-4-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]butanoate

C17H30N4O3 — CID 154764667

IUPACtert-butyl 2-methyl-4-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]butanoate
SMILESCc1noc(C2CN(CCC(C)C(=O)OC(C)(C)C)CCN2C)n1
InChIInChI=1S/C17H30N4O3/c1-12(16(22)23-17(3,4)5)7-8-21-10-9-20(6)14(11-21)15-18-13(2)19-24-15/h12,14H,7-11H2,1-6H3
InChIKeyCNODXXTWPOSHRS-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.03
Rot. Bonds5

About tert-butyl 2-methyl-4-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]butanoate

tert-butyl 2-methyl-4-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]butanoate (PubChem CID 154764667) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is tert-butyl 2-methyl-4-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]butanoate.

Molecular Properties

Compound Nametert-butyl 2-methyl-4-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]butanoate
PubChem CID154764667
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC Nametert-butyl 2-methyl-4-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]butanoate
SMILESCc1noc(C2CN(CCC(C)C(=O)OC(C)(C)C)CCN2C)n1
InChIInChI=1S/C17H30N4O3/c1-12(16(22)23-17(3,4)5)7-8-21-10-9-20(6)14(11-21)15-18-13(2)19-24-15/h12,14H,7-11H2,1-6H3
InChIKeyCNODXXTWPOSHRS-UHFFFAOYSA-N
XLogP2.03
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-4-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]butanoate?
The IUPAC name of tert-butyl 2-methyl-4-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]butanoate (CID 154764667) is tert-butyl 2-methyl-4-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]butanoate.
What is the SMILES notation for tert-butyl 2-methyl-4-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]butanoate?
The canonical SMILES for tert-butyl 2-methyl-4-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]butanoate is Cc1noc(C2CN(CCC(C)C(=O)OC(C)(C)C)CCN2C)n1.
What is the InChIKey of tert-butyl 2-methyl-4-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]butanoate?
The InChIKey is CNODXXTWPOSHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O3/c1-12(16(22)23-17(3,4)5)7-8-21-10-9-20(6)14(11-21)15-18-13(2)19-24-15/h12,14H,7-11H2,1-6H3.
What are the key properties of tert-butyl 2-methyl-4-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]butanoate?
tert-butyl 2-methyl-4-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]butanoate has a molecular weight of 338.45 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methyl-4-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]butanoate is sourced from PubChem (CID 154764667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).