tert-butyl 4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperazine-1-carboxylate

C15H28N2O4 — CID 141354092

IUPACtert-butyl 4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperazine-1-carboxylate
SMILESCC(C)(C)OCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H28N2O4/c1-14(2,3)20-11-12(18)16-7-9-17(10-8-16)13(19)21-15(4,5)6/h7-11H2,1-6H3
InChIKeyHXUZLQJULUQMGR-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.88
Rot. Bonds2

About tert-butyl 4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperazine-1-carboxylate

tert-butyl 4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperazine-1-carboxylate (PubChem CID 141354092) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is tert-butyl 4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperazine-1-carboxylate
PubChem CID141354092
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Nametert-butyl 4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperazine-1-carboxylate
SMILESCC(C)(C)OCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H28N2O4/c1-14(2,3)20-11-12(18)16-7-9-17(10-8-16)13(19)21-15(4,5)6/h7-11H2,1-6H3
InChIKeyHXUZLQJULUQMGR-UHFFFAOYSA-N
XLogP1.88
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(2-bromoacetyl)piperazine-1-carboxylate
CID 15829155
tert-butyl 4-(2-aminoacetyl)piperazine-1-carboxylate;hydrochloride
CID 54759044
tert-butyl 4-(1-hydroxy-2-methylpropan-2-yl)piperazine-1-carboxylate
CID 57420345
2-[(2-methylpropan-2-yl)oxy]-1-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]ethanone
CID 90142571
tert-butyl 4-tert-butylpiperazine-1-carboxylate;methane
CID 161367043
tert-butyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate
CID 66847563
tert-butyl 4-ethylpiperazine-1-carboxylate
CID 21224793
3-[4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperazin-1-yl]propanoic acid
CID 112602028
tert-butyl 4-[2-(4-methylpentan-2-ylamino)acetyl]piperazine-1-carboxylate
CID 103778322
tert-butyl 4-phosphanylpiperazine-1-carboxylate;ethane
CID 90729133
1-(3,3-difluoroazetidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 167351986
tert-butyl pyrrolidine-1-carboxylate;ethane;methanol
CID 142181784

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperazine-1-carboxylate (CID 141354092) is tert-butyl 4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperazine-1-carboxylate is CC(C)(C)OCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperazine-1-carboxylate?
The InChIKey is HXUZLQJULUQMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-14(2,3)20-11-12(18)16-7-9-17(10-8-16)13(19)21-15(4,5)6/h7-11H2,1-6H3.
What are the key properties of tert-butyl 4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperazine-1-carboxylate?
tert-butyl 4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperazine-1-carboxylate has a molecular weight of 300.40 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 141354092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).