tert-butyl 4-[4-(2H-oxazet-4-yl)phenyl]piperazine-1-carboxylate

C17H23N3O3 — CID 142155750

IUPACtert-butyl 4-[4-(2H-oxazet-4-yl)phenyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc(-c3c[nH]o3)cc2)CC1
InChIInChI=1S/C17H23N3O3/c1-17(2,3)22-16(21)20-10-8-19(9-11-20)14-6-4-13(5-7-14)15-12-18-23-15/h4-7,12,18H,8-11H2,1-3H3
InChIKeyKZYPWIDRBNPODZ-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.33
Rot. Bonds2

About tert-butyl 4-[4-(2H-oxazet-4-yl)phenyl]piperazine-1-carboxylate

tert-butyl 4-[4-(2H-oxazet-4-yl)phenyl]piperazine-1-carboxylate (PubChem CID 142155750) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is tert-butyl 4-[4-(2H-oxazet-4-yl)phenyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-(2H-oxazet-4-yl)phenyl]piperazine-1-carboxylate
PubChem CID142155750
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Nametert-butyl 4-[4-(2H-oxazet-4-yl)phenyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc(-c3c[nH]o3)cc2)CC1
InChIInChI=1S/C17H23N3O3/c1-17(2,3)22-16(21)20-10-8-19(9-11-20)14-6-4-13(5-7-14)15-12-18-23-15/h4-7,12,18H,8-11H2,1-3H3
InChIKeyKZYPWIDRBNPODZ-UHFFFAOYSA-N
XLogP3.33
TPSA61.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(4-methylphenyl)piperazine-1-carboxylate;methane
CID 167653835
tert-butyl 4-(4-bromophenyl)piperazine-1-carboxylate;ethane
CID 156798550
tert-butyl 4-(4-pyrimidin-2-ylphenyl)piperazine-1-carboxylate
CID 59511347
tert-butyl 4-(4-acetylphenyl)piperazine-1-carboxylate
CID 21136190
tritert-butyl 10-(4-methylsulfanylphenyl)-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate
CID 102191974
tert-butyl 4-(4-carbonochloridoylphenyl)piperazine-1-carboxylate
CID 57439881
tert-butyl 4-(4-bromophenyl)piperazine-1-carboxylate;tert-butyl 4-[4-(furan-2-yl)phenyl]piperazine-1-carboxylate;1-[4-(furan-2-yl)phenyl]piperazine
CID 158094171
tert-butyl 4-(4-methylsulfinylphenyl)piperazine-1-carboxylate
CID 59706451
tert-butyl 4-[4-(1,3-dioxoisoindol-2-yl)phenyl]piperazine-1-carboxylate
CID 168516136
tert-butyl 4-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazine-1-carboxylate
CID 53396572
tert-butyl 4-(4-bromophenyl)piperazine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
CID 158968618
tert-butyl 4-[4-[acetyl(methyl)amino]phenyl]piperazine-1-carboxylate
CID 59128304

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-(2H-oxazet-4-yl)phenyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-(2H-oxazet-4-yl)phenyl]piperazine-1-carboxylate (CID 142155750) is tert-butyl 4-[4-(2H-oxazet-4-yl)phenyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-(2H-oxazet-4-yl)phenyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-(2H-oxazet-4-yl)phenyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2ccc(-c3c[nH]o3)cc2)CC1.
What is the InChIKey of tert-butyl 4-[4-(2H-oxazet-4-yl)phenyl]piperazine-1-carboxylate?
The InChIKey is KZYPWIDRBNPODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-17(2,3)22-16(21)20-10-8-19(9-11-20)14-6-4-13(5-7-14)15-12-18-23-15/h4-7,12,18H,8-11H2,1-3H3.
What are the key properties of tert-butyl 4-[4-(2H-oxazet-4-yl)phenyl]piperazine-1-carboxylate?
tert-butyl 4-[4-(2H-oxazet-4-yl)phenyl]piperazine-1-carboxylate has a molecular weight of 317.39 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-(2H-oxazet-4-yl)phenyl]piperazine-1-carboxylate is sourced from PubChem (CID 142155750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).