benzyl (3-oxopiperazin-1-yl) carbonate

C12H14N2O4 — CID 68738523

IUPACbenzyl (3-oxopiperazin-1-yl) carbonate
SMILESO=C1CN(OC(=O)OCc2ccccc2)CCN1
InChIInChI=1S/C12H14N2O4/c15-11-8-14(7-6-13-11)18-12(16)17-9-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,15)
InChIKeyHNAYKXXCTWKSNI-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.69
Rot. Bonds3

About benzyl (3-oxopiperazin-1-yl) carbonate

benzyl (3-oxopiperazin-1-yl) carbonate (PubChem CID 68738523) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is benzyl (3-oxopiperazin-1-yl) carbonate.

Molecular Properties

Compound Namebenzyl (3-oxopiperazin-1-yl) carbonate
PubChem CID68738523
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Namebenzyl (3-oxopiperazin-1-yl) carbonate
SMILESO=C1CN(OC(=O)OCc2ccccc2)CCN1
InChIInChI=1S/C12H14N2O4/c15-11-8-14(7-6-13-11)18-12(16)17-9-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,15)
InChIKeyHNAYKXXCTWKSNI-UHFFFAOYSA-N
XLogP0.69
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl (4-piperazin-1-ylpiperidin-1-yl) carbonate
CID 69119896
N,N-dibenzyl-2-(3-oxopiperazin-1-yl)acetamide
CID 8963237
benzyl phenylmethoxycarbonyl carbonate
CID 3649378
benzyl (2R)-2-methyl-3-oxopiperazine-1-carboxylate
CID 72699156
benzyl (2S)-2-methyl-3-oxopiperazine-1-carboxylate
CID 54227046
benzyl benzoate;pyrrolidin-2-one
CID 159513468
benzyl phenylmethoxycarbonyloxy carbonate;carbonic acid
CID 160645724
benzyl [(1R,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl] carbonate
CID 6542016
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
(3-methoxyphenyl)methyl 3-oxopiperazine-1-carboxylate
CID 167465187
benzyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 11154253
benzyl aziridine-1-carboxylate;silane
CID 158496499

Frequently Asked Questions

What is the IUPAC name of benzyl (3-oxopiperazin-1-yl) carbonate?
The IUPAC name of benzyl (3-oxopiperazin-1-yl) carbonate (CID 68738523) is benzyl (3-oxopiperazin-1-yl) carbonate.
What is the SMILES notation for benzyl (3-oxopiperazin-1-yl) carbonate?
The canonical SMILES for benzyl (3-oxopiperazin-1-yl) carbonate is O=C1CN(OC(=O)OCc2ccccc2)CCN1.
What is the InChIKey of benzyl (3-oxopiperazin-1-yl) carbonate?
The InChIKey is HNAYKXXCTWKSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c15-11-8-14(7-6-13-11)18-12(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-oxopiperazin-1-yl) carbonate?
benzyl (3-oxopiperazin-1-yl) carbonate has a molecular weight of 250.25 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3-oxopiperazin-1-yl) carbonate is sourced from PubChem (CID 68738523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).