tert-butyl 4-benzoylpiperazine-1-carboxylate

C16H22N2O3 — CID 18519756

IUPACtert-butyl 4-benzoylpiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C16H22N2O3/c1-16(2,3)21-15(20)18-11-9-17(10-12-18)14(19)13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3
InChIKeyYOZLBJXUJHNUOW-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.38
Rot. Bonds1

About tert-butyl 4-benzoylpiperazine-1-carboxylate

tert-butyl 4-benzoylpiperazine-1-carboxylate (PubChem CID 18519756) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is tert-butyl 4-benzoylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-benzoylpiperazine-1-carboxylate
PubChem CID18519756
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Nametert-butyl 4-benzoylpiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C16H22N2O3/c1-16(2,3)21-15(20)18-11-9-17(10-12-18)14(19)13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3
InChIKeyYOZLBJXUJHNUOW-UHFFFAOYSA-N
XLogP2.38
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-benzoylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-benzoylpiperazine-1-carboxylate (CID 18519756) is tert-butyl 4-benzoylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-benzoylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-benzoylpiperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of tert-butyl 4-benzoylpiperazine-1-carboxylate?
The InChIKey is YOZLBJXUJHNUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-16(2,3)21-15(20)18-11-9-17(10-12-18)14(19)13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3.
What are the key properties of tert-butyl 4-benzoylpiperazine-1-carboxylate?
tert-butyl 4-benzoylpiperazine-1-carboxylate has a molecular weight of 290.36 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-benzoylpiperazine-1-carboxylate is sourced from PubChem (CID 18519756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).