tert-butyl N-[1-[5-(1-methyl-2-oxopiperidin-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate

C17H26N4O4 — CID 166235881

IUPACtert-butyl N-[1-[5-(1-methyl-2-oxopiperidin-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate
SMILESCN1CCCC(c2nc(C3(NC(=O)OC(C)(C)C)CCC3)no2)C1=O
InChIInChI=1S/C17H26N4O4/c1-16(2,3)24-15(23)19-17(8-6-9-17)14-18-12(25-20-14)11-7-5-10-21(4)13(11)22/h11H,5-10H2,1-4H3,(H,19,23)
InChIKeyDVNHEICBYNTZBK-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.31
Rot. Bonds3

About tert-butyl N-[1-[5-(1-methyl-2-oxopiperidin-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate

tert-butyl N-[1-[5-(1-methyl-2-oxopiperidin-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate (PubChem CID 166235881) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is tert-butyl N-[1-[5-(1-methyl-2-oxopiperidin-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[5-(1-methyl-2-oxopiperidin-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate
PubChem CID166235881
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC Nametert-butyl N-[1-[5-(1-methyl-2-oxopiperidin-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate
SMILESCN1CCCC(c2nc(C3(NC(=O)OC(C)(C)C)CCC3)no2)C1=O
InChIInChI=1S/C17H26N4O4/c1-16(2,3)24-15(23)19-17(8-6-9-17)14-18-12(25-20-14)11-7-5-10-21(4)13(11)22/h11H,5-10H2,1-4H3,(H,19,23)
InChIKeyDVNHEICBYNTZBK-UHFFFAOYSA-N
XLogP2.31
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[5-(1-methyl-2-oxopiperidin-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-[5-(1-methyl-2-oxopiperidin-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate (CID 166235881) is tert-butyl N-[1-[5-(1-methyl-2-oxopiperidin-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[5-(1-methyl-2-oxopiperidin-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[5-(1-methyl-2-oxopiperidin-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate is CN1CCCC(c2nc(C3(NC(=O)OC(C)(C)C)CCC3)no2)C1=O.
What is the InChIKey of tert-butyl N-[1-[5-(1-methyl-2-oxopiperidin-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate?
The InChIKey is DVNHEICBYNTZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-16(2,3)24-15(23)19-17(8-6-9-17)14-18-12(25-20-14)11-7-5-10-21(4)13(11)22/h11H,5-10H2,1-4H3,(H,19,23).
What are the key properties of tert-butyl N-[1-[5-(1-methyl-2-oxopiperidin-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate?
tert-butyl N-[1-[5-(1-methyl-2-oxopiperidin-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate has a molecular weight of 350.42 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[5-(1-methyl-2-oxopiperidin-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate is sourced from PubChem (CID 166235881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).