benzyl 3-oxopiperazine-1-carboxylate

C12H14N2O3 — CID 736777

IUPACbenzyl 3-oxopiperazine-1-carboxylate
SMILESO=C1CN(C(=O)OCc2ccccc2)CCN1
InChIInChI=1S/C12H14N2O3/c15-11-8-14(7-6-13-11)12(16)17-9-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,15)
InChIKeyBAHFPJFBMJTOPU-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.75
Rot. Bonds2

About benzyl 3-oxopiperazine-1-carboxylate

benzyl 3-oxopiperazine-1-carboxylate (PubChem CID 736777) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is benzyl 3-oxopiperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-oxopiperazine-1-carboxylate
PubChem CID736777
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Namebenzyl 3-oxopiperazine-1-carboxylate
SMILESO=C1CN(C(=O)OCc2ccccc2)CCN1
InChIInChI=1S/C12H14N2O3/c15-11-8-14(7-6-13-11)12(16)17-9-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,15)
InChIKeyBAHFPJFBMJTOPU-UHFFFAOYSA-N
XLogP0.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 3-oxopiperazine-1-carboxylate?
The IUPAC name of benzyl 3-oxopiperazine-1-carboxylate (CID 736777) is benzyl 3-oxopiperazine-1-carboxylate.
What is the SMILES notation for benzyl 3-oxopiperazine-1-carboxylate?
The canonical SMILES for benzyl 3-oxopiperazine-1-carboxylate is O=C1CN(C(=O)OCc2ccccc2)CCN1.
What is the InChIKey of benzyl 3-oxopiperazine-1-carboxylate?
The InChIKey is BAHFPJFBMJTOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-11-8-14(7-6-13-11)12(16)17-9-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,15).
What are the key properties of benzyl 3-oxopiperazine-1-carboxylate?
benzyl 3-oxopiperazine-1-carboxylate has a molecular weight of 234.25 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-oxopiperazine-1-carboxylate is sourced from PubChem (CID 736777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).